2-(2,2-dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol

C13H25NO — CID 141116192

IUPAC2-(2,2-dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol
SMILESCC(C)(C)CNC1C=CCC(C)(C)C1O
InChIInChI=1S/C13H25NO/c1-12(2,3)9-14-10-7-6-8-13(4,5)11(10)15/h6-7,10-11,14-15H,8-9H2,1-5H3
InChIKeyHGIHSHWLZUVGIV-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.34
Rot. Bonds2

About 2-(2,2-dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol

2-(2,2-dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol (PubChem CID 141116192) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name2-(2,2-dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol
PubChem CID141116192
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(2,2-dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol
SMILESCC(C)(C)CNC1C=CCC(C)(C)C1O
InChIInChI=1S/C13H25NO/c1-12(2,3)9-14-10-7-6-8-13(4,5)11(10)15/h6-7,10-11,14-15H,8-9H2,1-5H3
InChIKeyHGIHSHWLZUVGIV-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(1s,2s)-Pseudoephedrine hydrochloride
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2-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
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4-[[(1S)-cyclohex-3-en-1-yl]methylamino]-3,3-dimethylbutan-1-ol
CID 97240121
(1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol
CID 102264627
1-Cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol
CID 134924288
2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213
1-Cyclohexa-2,5-dien-1-yl-2-(methylamino)propan-1-ol
CID 20758180
(E)-5-methyl-3-(methylamino)oct-6-en-4-ol
CID 59728821
(2S)-1-cyclohexa-2,5-dien-1-yl-2-(methylamino)propan-1-ol
CID 59985358
(1R)-2-amino-1-(1-methylcyclohex-3-en-1-yl)propan-1-ol
CID 68186951

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol?
The IUPAC name of 2-(2,2-dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol (CID 141116192) is 2-(2,2-dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol.
What is the SMILES notation for 2-(2,2-dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol?
The canonical SMILES for 2-(2,2-dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol is CC(C)(C)CNC1C=CCC(C)(C)C1O.
What is the InChIKey of 2-(2,2-dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol?
The InChIKey is HGIHSHWLZUVGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,3)9-14-10-7-6-8-13(4,5)11(10)15/h6-7,10-11,14-15H,8-9H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol?
2-(2,2-dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylamino)-6,6-dimethylcyclohex-3-en-1-ol is sourced from PubChem (CID 141116192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).