Chemical ID: 6559105

c1ccc(cc1)CCNCC23CC4CC(C2)CC(C4)C3
Chemical ID:
6559105
Name [?]:
N-(1-adamantylmethyl)-2-phenyl-ethanamine
SMILES [?]:
c1ccc(cc1)CCNCC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C19H27N/c1-2-4-15(5-3-1)6-7-20-14-19-11-16-8-17(12-19)10-18(9-16)13-19/h1-5,16-18,20H,6-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,8,14,17,19,16,12,20,10,4,15,13,18,11,9/E:(2,3)(4,5)(8,9,10)(11,12,13)(16,17,18)/rA:20nCCCCCCCCNCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27N
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.854
Area:469.065
Solvation:-0.872637
Coulombic:-12.293
Bond Count [?]
All:23
Single:20
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:269.424
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.38
LogP (Chemaxon):4.21

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Descriptor Annotations

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