3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol

C12H23NO — CID 104549990

IUPAC3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
SMILESCC1CCCC(O)(CN2CCCC2)C1
InChIInChI=1S/C12H23NO/c1-11-5-4-6-12(14,9-11)10-13-7-2-3-8-13/h11,14H,2-10H2,1H3
InChIKeyIPLDXYMLUPWZCL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds2

About 3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol

3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol (PubChem CID 104549990) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
PubChem CID104549990
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
SMILESCC1CCCC(O)(CN2CCCC2)C1
InChIInChI=1S/C12H23NO/c1-11-5-4-6-12(14,9-11)10-13-7-2-3-8-13/h11,14H,2-10H2,1H3
InChIKeyIPLDXYMLUPWZCL-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

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3-methyl-1-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol
CID 104549999
cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
CID 25015095
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79210284
1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one
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1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 65118896
2-[(1-hydroxy-3-methylcyclohexyl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 65121224
3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one
CID 65119516
(3R)-3-methyl-1-(2-methylpropyl)cyclohexan-1-ol
CID 121406243
1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65115830
3-amino-1-(azetidin-1-ylmethyl)cyclopentan-1-ol
CID 105434590
1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine
CID 65283024

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol (CID 104549990) is 3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol is CC1CCCC(O)(CN2CCCC2)C1.
What is the InChIKey of 3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol?
The InChIKey is IPLDXYMLUPWZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11-5-4-6-12(14,9-11)10-13-7-2-3-8-13/h11,14H,2-10H2,1H3.
What are the key properties of 3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol?
3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 104549990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).