N-(pyrrolidin-3-ylmethyl)cyclohexanamine

C11H22N2 — CID 63006333

IUPACN-(pyrrolidin-3-ylmethyl)cyclohexanamine
SMILESC1CCC(NCC2CCNC2)CC1
InChIInChI=1S/C11H22N2/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h10-13H,1-9H2
InChIKeyJOEFBSMALUBXNO-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.52
Rot. Bonds3

About N-(pyrrolidin-3-ylmethyl)cyclohexanamine

N-(pyrrolidin-3-ylmethyl)cyclohexanamine (PubChem CID 63006333) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)cyclohexanamine
PubChem CID63006333
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-(pyrrolidin-3-ylmethyl)cyclohexanamine
SMILESC1CCC(NCC2CCNC2)CC1
InChIInChI=1S/C11H22N2/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h10-13H,1-9H2
InChIKeyJOEFBSMALUBXNO-UHFFFAOYSA-N
XLogP1.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(pyrrolidin-3-ylmethyl)cyclohexanamine 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 N-(pyrrolidin-3-ylmethyl)cyclohexanamine?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)cyclohexanamine (CID 63006333) is N-(pyrrolidin-3-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)cyclohexanamine is C1CCC(NCC2CCNC2)CC1.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)cyclohexanamine?
The InChIKey is JOEFBSMALUBXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h10-13H,1-9H2.
What are the key properties of N-(pyrrolidin-3-ylmethyl)cyclohexanamine?
N-(pyrrolidin-3-ylmethyl)cyclohexanamine has a molecular weight of 182.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)cyclohexanamine is sourced from PubChem (CID 63006333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).