4-(cyclohexylmethyl)-1-methylpyrrolidin-3-ol

C12H23NO — CID 140584531

IUPAC4-(cyclohexylmethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CC(O)C(CC2CCCCC2)C1
InChIInChI=1S/C12H23NO/c1-13-8-11(12(14)9-13)7-10-5-3-2-4-6-10/h10-12,14H,2-9H2,1H3
InChIKeyUKTOUAZDJXTXPB-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.88
Rot. Bonds2

About 4-(cyclohexylmethyl)-1-methylpyrrolidin-3-ol

4-(cyclohexylmethyl)-1-methylpyrrolidin-3-ol (PubChem CID 140584531) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-1-methylpyrrolidin-3-ol
PubChem CID140584531
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(cyclohexylmethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CC(O)C(CC2CCCCC2)C1
InChIInChI=1S/C12H23NO/c1-13-8-11(12(14)9-13)7-10-5-3-2-4-6-10/h10-12,14H,2-9H2,1H3
InChIKeyUKTOUAZDJXTXPB-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 4-(cyclohexylmethyl)-1-methylpyrrolidin-3-ol (CID 140584531) is 4-(cyclohexylmethyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 4-(cyclohexylmethyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 4-(cyclohexylmethyl)-1-methylpyrrolidin-3-ol is CN1CC(O)C(CC2CCCCC2)C1.
What is the InChIKey of 4-(cyclohexylmethyl)-1-methylpyrrolidin-3-ol?
The InChIKey is UKTOUAZDJXTXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-13-8-11(12(14)9-13)7-10-5-3-2-4-6-10/h10-12,14H,2-9H2,1H3.
What are the key properties of 4-(cyclohexylmethyl)-1-methylpyrrolidin-3-ol?
4-(cyclohexylmethyl)-1-methylpyrrolidin-3-ol has a molecular weight of 197.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 140584531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).