Chemical ID: 7331634

CN(Cc1ccccc1)CC23CC4CC(C2)CC(C4)C3
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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