[2-(2-ethylpyrrolidin-1-yl)-4-phenylcyclohexyl]methanamine

C19H30N2 — CID 60974548

IUPAC[2-(2-ethylpyrrolidin-1-yl)-4-phenylcyclohexyl]methanamine
SMILESCCC1CCCN1C1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C19H30N2/c1-2-18-9-6-12-21(18)19-13-16(10-11-17(19)14-20)15-7-4-3-5-8-15/h3-5,7-8,16-19H,2,6,9-14,20H2,1H3
InChIKeyCMNLWYMKYAFRAV-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.77
Rot. Bonds4

About [2-(2-ethylpyrrolidin-1-yl)-4-phenylcyclohexyl]methanamine

[2-(2-ethylpyrrolidin-1-yl)-4-phenylcyclohexyl]methanamine (PubChem CID 60974548) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is [2-(2-ethylpyrrolidin-1-yl)-4-phenylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylpyrrolidin-1-yl)-4-phenylcyclohexyl]methanamine
PubChem CID60974548
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name[2-(2-ethylpyrrolidin-1-yl)-4-phenylcyclohexyl]methanamine
SMILESCCC1CCCN1C1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C19H30N2/c1-2-18-9-6-12-21(18)19-13-16(10-11-17(19)14-20)15-7-4-3-5-8-15/h3-5,7-8,16-19H,2,6,9-14,20H2,1H3
InChIKeyCMNLWYMKYAFRAV-UHFFFAOYSA-N
XLogP3.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpyrrolidin-1-yl)-4-phenylcyclohexyl]methanamine?
The IUPAC name of [2-(2-ethylpyrrolidin-1-yl)-4-phenylcyclohexyl]methanamine (CID 60974548) is [2-(2-ethylpyrrolidin-1-yl)-4-phenylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-ethylpyrrolidin-1-yl)-4-phenylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-ethylpyrrolidin-1-yl)-4-phenylcyclohexyl]methanamine is CCC1CCCN1C1CC(c2ccccc2)CCC1CN.
What is the InChIKey of [2-(2-ethylpyrrolidin-1-yl)-4-phenylcyclohexyl]methanamine?
The InChIKey is CMNLWYMKYAFRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-18-9-6-12-21(18)19-13-16(10-11-17(19)14-20)15-7-4-3-5-8-15/h3-5,7-8,16-19H,2,6,9-14,20H2,1H3.
What are the key properties of [2-(2-ethylpyrrolidin-1-yl)-4-phenylcyclohexyl]methanamine?
[2-(2-ethylpyrrolidin-1-yl)-4-phenylcyclohexyl]methanamine has a molecular weight of 286.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpyrrolidin-1-yl)-4-phenylcyclohexyl]methanamine is sourced from PubChem (CID 60974548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).