Chemical ID: 6724941

CCC(C12CC3CC(C1)CC(C3)(C2)O)[NH3+]
Chemical ID:
6724941
Name [?]:
1-(3-hydroxy-1-adamantyl)propylammonium
SMILES [?]:
CCC(C12CC3CC(C1)CC(C3)(C2)O)[NH3+]
InChi [?]:
InChI=1/C13H23NO/c1-2-11(14)12-4-9-3-10(5-12)7-13(15,6-9)8-12/h9-11,15H,2-8,14H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,7,5,9,12,10,13,6,8,3,4,11,15,14/E:(4,5)(6,7)(9,10)/rA:15cCCCCCCCCCCCCCON+/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s8;s10;s6s11;s4s11;s11;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H24NO+
All Atoms:39
Heavy Atoms:15
Chiral Atoms:3
ZAP Information [?]
Total:-28.9179
Area:358.733
Solvation:-37.8862
Coulombic:23.7192
Bond Count [?]
All:17
Single:17
Double:0
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:210.336
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.97
LogP (Chemaxon):1.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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