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Chemical ID: 5190999
Chemical ID:
5190999
Name [?]:
1-(1-adamantyl)-N-benzyl-propan-2-amine
SMILES [?]:
CC(CC12CC3CC(C1)CC(C3)C2)NCc4ccccc4
InChi [?]:
InChI=1/C20H29N/c1-15(21-14-16-5-3-2-4-6-16)10-20-11-17-7-18(12-20)9-19(8-17)13-20/h2-6,15,17-19,21H,7-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,21,7,10,12,3,9,5,13,15,2,16,8,6,11,4,14/E:(3,4)(5,6)(7,8,9)(11,12,13)(17,18,19)/rA:21cCCCCCCCCCCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s8;s10;s6s11;s4s11;s2;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H29N |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6849 |
Area: | 461.959 |
Solvation: | -0.864076 |
Coulombic: | -12.3191 |
Bond Count [?]
All: | 24 |
Single: | 21 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 283.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 6.67 |
LogP (Chemaxon): | 4.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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