Chemical ID: 5190999

CC(CC12CC3CC(C1)CC(C3)C2)NCc4ccccc4
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

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Experimental Annotations

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Descriptor Annotations

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