1-(4,4-dimethylcyclohexyl)pyrrolidin-3-ol

C12H23NO — CID 83831424

IUPAC1-(4,4-dimethylcyclohexyl)pyrrolidin-3-ol
SMILESCC1(C)CCC(N2CCC(O)C2)CC1
InChIInChI=1S/C12H23NO/c1-12(2)6-3-10(4-7-12)13-8-5-11(14)9-13/h10-11,14H,3-9H2,1-2H3
InChIKeyPDCURHPZGDGNNR-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds1

About 1-(4,4-dimethylcyclohexyl)pyrrolidin-3-ol

1-(4,4-dimethylcyclohexyl)pyrrolidin-3-ol (PubChem CID 83831424) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)pyrrolidin-3-ol
PubChem CID83831424
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(4,4-dimethylcyclohexyl)pyrrolidin-3-ol
SMILESCC1(C)CCC(N2CCC(O)C2)CC1
InChIInChI=1S/C12H23NO/c1-12(2)6-3-10(4-7-12)13-8-5-11(14)9-13/h10-11,14H,3-9H2,1-2H3
InChIKeyPDCURHPZGDGNNR-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S,4S)-1-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)pyrrolidin-3-ol
CID 169667021
1-(1,3,3-Trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-2-ol
CID 3595892
1-(4-Methylcyclohexyl)pyrrolidin-3-ol
CID 58394958
1-(4-(Tert-butyl)cyclohexyl)pyrrolidin-3-ol
CID 58395297
2-[2-(2,2-Dimethylpropyl)pyrrolidin-1-yl]ethanol
CID 58530428
5-(2,2-Dimethylpropyl)-1-propylpyrrolidin-3-ol
CID 58530771
5-(2,2-Dimethylpropyl)-1-methylpyrrolidin-3-ol
CID 58530848
(3S)-1-(4-methylcyclohexyl)pyrrolidin-3-ol
CID 58662056
1-[(3S)-3-hydroxypyrrolidin-1-yl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 58689170
(3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol
CID 58689258
trans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 59200793
trans-(1R,2R)-4,4-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 59200822

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)pyrrolidin-3-ol?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)pyrrolidin-3-ol (CID 83831424) is 1-(4,4-dimethylcyclohexyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)pyrrolidin-3-ol is CC1(C)CCC(N2CCC(O)C2)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)pyrrolidin-3-ol?
The InChIKey is PDCURHPZGDGNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2)6-3-10(4-7-12)13-8-5-11(14)9-13/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)pyrrolidin-3-ol?
1-(4,4-dimethylcyclohexyl)pyrrolidin-3-ol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)pyrrolidin-3-ol is sourced from PubChem (CID 83831424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).