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Chemical ID: 5872956
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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Experimental Annotations
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Descriptor Annotations
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