1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol

C12H23NO — CID 64749345

IUPAC1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol
SMILESCC1CCC(C2(O)CCN(C)C2)CC1
InChIInChI=1S/C12H23NO/c1-10-3-5-11(6-4-10)12(14)7-8-13(2)9-12/h10-11,14H,3-9H2,1-2H3
InChIKeyLKACTMZNDUTYJF-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.88
Rot. Bonds1

About 1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol

1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol (PubChem CID 64749345) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol
PubChem CID64749345
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol
SMILESCC1CCC(C2(O)CCN(C)C2)CC1
InChIInChI=1S/C12H23NO/c1-10-3-5-11(6-4-10)12(14)7-8-13(2)9-12/h10-11,14H,3-9H2,1-2H3
InChIKeyLKACTMZNDUTYJF-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol?
The IUPAC name of 1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol (CID 64749345) is 1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol is CC1CCC(C2(O)CCN(C)C2)CC1.
What is the InChIKey of 1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol?
The InChIKey is LKACTMZNDUTYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-3-5-11(6-4-10)12(14)7-8-13(2)9-12/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol?
1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol has a molecular weight of 197.32 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol is sourced from PubChem (CID 64749345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).