[5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine

C18H28N2 — CID 117434114

IUPAC[5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H28N2/c1-20-13-14(12-19)11-18(20)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,14-15,18H,2-6,11-13,19H2,1H3
InChIKeyYBUNCTCOKZVALH-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.69
Rot. Bonds3

About [5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117434114) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is [5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117434114
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name[5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H28N2/c1-20-13-14(12-19)11-18(20)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,14-15,18H,2-6,11-13,19H2,1H3
InChIKeyYBUNCTCOKZVALH-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117434114) is [5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1ccc(C2CCCCC2)cc1.
What is the InChIKey of [5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is YBUNCTCOKZVALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-20-13-14(12-19)11-18(20)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,14-15,18H,2-6,11-13,19H2,1H3.
What are the key properties of [5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 272.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117434114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).