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Chemical ID: 7331634
Chemical ID:
7331634
Name [?]:
N-(1-adamantylmethyl)-N-benzyl-methanamine
SMILES [?]:
CN(Cc1ccccc1)CC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C19H27N/c1-20(13-15-5-3-2-4-6-15)14-19-10-16-7-17(11-19)9-18(8-16)12-19/h2-6,16-18H,7-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,5,9,14,17,19,16,12,20,3,10,4,15,13,18,11,2/E:(3,4)(5,6)(7,8,9)(10,11,12)(16,17,18)/rA:20cCNCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;s10;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27N |
All Atoms: | 47 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.96125 |
Area: | 440.393 |
Solvation: | -1.04857 |
Coulombic: | -8.19915 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 269.424 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.46 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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