[1-(3-propan-2-ylcyclohexyl)pyrrolidin-2-yl]methanol

C14H27NO — CID 135130380

IUPAC[1-(3-propan-2-ylcyclohexyl)pyrrolidin-2-yl]methanol
SMILESCC(C)C1CCCC(N2CCCC2CO)C1
InChIInChI=1S/C14H27NO/c1-11(2)12-5-3-6-13(9-12)15-8-4-7-14(15)10-16/h11-14,16H,3-10H2,1-2H3
InChIKeyFWXKTUVJTSVGHU-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.66
Rot. Bonds3

About [1-(3-propan-2-ylcyclohexyl)pyrrolidin-2-yl]methanol

[1-(3-propan-2-ylcyclohexyl)pyrrolidin-2-yl]methanol (PubChem CID 135130380) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-(3-propan-2-ylcyclohexyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-propan-2-ylcyclohexyl)pyrrolidin-2-yl]methanol
PubChem CID135130380
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[1-(3-propan-2-ylcyclohexyl)pyrrolidin-2-yl]methanol
SMILESCC(C)C1CCCC(N2CCCC2CO)C1
InChIInChI=1S/C14H27NO/c1-11(2)12-5-3-6-13(9-12)15-8-4-7-14(15)10-16/h11-14,16H,3-10H2,1-2H3
InChIKeyFWXKTUVJTSVGHU-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,3aS,7aS)-2,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium-1-yl]methanol iodide
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[1-[(3,3-Difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol
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(4-Ethyl-1-methylpyrrolidin-2-yl)methanol
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2-Methyl-1-(1-methylpyrrolidin-2-yl)propan-1-ol
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(1,3,4,5-Tetramethylpyrrolidin-2-yl)methanol
CID 23381771
(1R)-2-methyl-1-(1-methylpyrrolidin-2-yl)propan-1-ol
CID 53876145
2-[4-[(2R)-1-methylpyrrolidin-2-yl]cyclohexyl]ethanol
CID 57861275
[(2S,4R)-4-ethyl-1-methylpyrrolidin-2-yl]methanol
CID 59055327
[1-(3-Methylcyclohexyl)pyrrolidin-2-yl]methanol
CID 64248889
[(2S)-1-[(3-propan-2-ylcyclobutyl)methyl]pyrrolidin-2-yl]methanol
CID 68067648
(3S)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-ol
CID 68067727
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CID 68067728

Frequently Asked Questions

What is the IUPAC name of [1-(3-propan-2-ylcyclohexyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-propan-2-ylcyclohexyl)pyrrolidin-2-yl]methanol (CID 135130380) is [1-(3-propan-2-ylcyclohexyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-propan-2-ylcyclohexyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-propan-2-ylcyclohexyl)pyrrolidin-2-yl]methanol is CC(C)C1CCCC(N2CCCC2CO)C1.
What is the InChIKey of [1-(3-propan-2-ylcyclohexyl)pyrrolidin-2-yl]methanol?
The InChIKey is FWXKTUVJTSVGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)12-5-3-6-13(9-12)15-8-4-7-14(15)10-16/h11-14,16H,3-10H2,1-2H3.
What are the key properties of [1-(3-propan-2-ylcyclohexyl)pyrrolidin-2-yl]methanol?
[1-(3-propan-2-ylcyclohexyl)pyrrolidin-2-yl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-propan-2-ylcyclohexyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 135130380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).