Chemical ID: 5872956

c1cc(oc1)CNC23CC4CC(C2)CC(C4)C3
Chemical ID:
5872956
Name [?]:
N-(2-furylmethyl)adamantan-1-amine
SMILES [?]:
c1cc(oc1)CNC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C15H21NO/c1-2-14(17-3-1)10-16-15-7-11-4-12(8-15)6-13(5-11)9-15/h1-3,11-13,16H,4-10H2
InChi Info:
AuxInfo=1/0/N:1,2,5,11,14,16,13,9,17,6,12,10,15,3,8,7,4/E:(4,5,6)(7,8,9)(11,12,13)/rA:17nCCCOCCNCCCCCCCCCC/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;s10;s11;s8s12;s12;s14;s10s15;s8s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.659
Area:394.754
Solvation:-2.20986
Coulombic:-16.1446
Bond Count [?]
All:20
Single:18
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:231.333
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.11
LogP (Chemaxon):2.24

Name Annotations

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Descriptor Annotations

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