1-(2-methylcyclohexyl)pyrrolidin-2-imine

C11H20N2 — CID 43121976

IUPAC1-(2-methylcyclohexyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C1CCCCC1C
InChIInChI=1S/C11H20N2/c1-9-5-2-3-6-10(9)13-8-4-7-11(13)12/h9-10,12H,2-8H2,1H3/b12-11+
InChIKeyFVTFMKPKCUKCDR-VAWYXSNFSA-N
MW180.29 g/mol
LogP2.64
Rot. Bonds1

About 1-(2-methylcyclohexyl)pyrrolidin-2-imine

1-(2-methylcyclohexyl)pyrrolidin-2-imine (PubChem CID 43121976) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)pyrrolidin-2-imine
PubChem CID43121976
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-(2-methylcyclohexyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C1CCCCC1C
InChIInChI=1S/C11H20N2/c1-9-5-2-3-6-10(9)13-8-4-7-11(13)12/h9-10,12H,2-8H2,1H3/b12-11+
InChIKeyFVTFMKPKCUKCDR-VAWYXSNFSA-N
XLogP2.64
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(2-methylcyclohexyl)pyrrolidin-2-imine 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-(2-methylcyclohexyl)pyrrolidin-2-imine?
The IUPAC name of 1-(2-methylcyclohexyl)pyrrolidin-2-imine (CID 43121976) is 1-(2-methylcyclohexyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(2-methylcyclohexyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(2-methylcyclohexyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1C1CCCCC1C.
What is the InChIKey of 1-(2-methylcyclohexyl)pyrrolidin-2-imine?
The InChIKey is FVTFMKPKCUKCDR-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H20N2/c1-9-5-2-3-6-10(9)13-8-4-7-11(13)12/h9-10,12H,2-8H2,1H3/b12-11+.
What are the key properties of 1-(2-methylcyclohexyl)pyrrolidin-2-imine?
1-(2-methylcyclohexyl)pyrrolidin-2-imine has a molecular weight of 180.29 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)pyrrolidin-2-imine is sourced from PubChem (CID 43121976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).