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Chemical ID: 4732451
Chemical ID:
4732451
Name [?]:
2-(1,1-dimethyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl)propan-2-ol
SMILES [?]:
CC(C)(C1CC[N+](CC1)(C)C)O
InChi [?]:
InChI=1/C10H22NO/c1-10(2,12)9-5-7-11(3,4)8-6-9/h9,12H,5-8H2,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,3,10,11,5,9,6,8,4,2,7,12/E:(1,2)(3,4)(5,6)(7,8)/CRV:11+1/rA:12nCCCCCCN+CCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s7;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H22NO+ |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.7001 |
Area: | 331.164 |
Solvation: | -28.9792 |
Coulombic: | 7.27395 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 172.288 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | -0.3 |
LogP (Chemaxon): | -3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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