[1-(cyclohexen-1-yl)-2-methylpyrrolidin-2-yl]methanamine

C12H22N2 — CID 21268519

IUPAC[1-(cyclohexen-1-yl)-2-methylpyrrolidin-2-yl]methanamine
SMILESCC1(CN)CCCN1C1=CCCCC1
InChIInChI=1S/C12H22N2/c1-12(10-13)8-5-9-14(12)11-6-3-2-4-7-11/h6H,2-5,7-10,13H2,1H3
InChIKeyCBDJOAVZXBQODF-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.26
Rot. Bonds2

About [1-(cyclohexen-1-yl)-2-methylpyrrolidin-2-yl]methanamine

[1-(cyclohexen-1-yl)-2-methylpyrrolidin-2-yl]methanamine (PubChem CID 21268519) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is [1-(cyclohexen-1-yl)-2-methylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(cyclohexen-1-yl)-2-methylpyrrolidin-2-yl]methanamine
PubChem CID21268519
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name[1-(cyclohexen-1-yl)-2-methylpyrrolidin-2-yl]methanamine
SMILESCC1(CN)CCCN1C1=CCCCC1
InChIInChI=1S/C12H22N2/c1-12(10-13)8-5-9-14(12)11-6-3-2-4-7-11/h6H,2-5,7-10,13H2,1H3
InChIKeyCBDJOAVZXBQODF-UHFFFAOYSA-N
XLogP2.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(cyclohexen-1-yl)-2-methylpyrrolidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexen-1-yl)-2-methylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(cyclohexen-1-yl)-2-methylpyrrolidin-2-yl]methanamine (CID 21268519) is [1-(cyclohexen-1-yl)-2-methylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(cyclohexen-1-yl)-2-methylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(cyclohexen-1-yl)-2-methylpyrrolidin-2-yl]methanamine is CC1(CN)CCCN1C1=CCCCC1.
What is the InChIKey of [1-(cyclohexen-1-yl)-2-methylpyrrolidin-2-yl]methanamine?
The InChIKey is CBDJOAVZXBQODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-12(10-13)8-5-9-14(12)11-6-3-2-4-7-11/h6H,2-5,7-10,13H2,1H3.
What are the key properties of [1-(cyclohexen-1-yl)-2-methylpyrrolidin-2-yl]methanamine?
[1-(cyclohexen-1-yl)-2-methylpyrrolidin-2-yl]methanamine has a molecular weight of 194.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexen-1-yl)-2-methylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 21268519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).