N,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide

C18H33N3O — CID 166238405

IUPACN,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCCC(NC2CCCC2C2CCCN2)C1
InChIInChI=1S/C18H33N3O/c1-21(2)18(22)13-6-3-7-14(12-13)20-17-9-4-8-15(17)16-10-5-11-19-16/h13-17,19-20H,3-12H2,1-2H3
InChIKeyDXJPZEOEJBMSQR-UHFFFAOYSA-N
MW307.48 g/mol
LogP2.14
Rot. Bonds4

About N,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide

N,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide (PubChem CID 166238405) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide
PubChem CID166238405
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC NameN,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCCC(NC2CCCC2C2CCCN2)C1
InChIInChI=1S/C18H33N3O/c1-21(2)18(22)13-6-3-7-14(12-13)20-17-9-4-8-15(17)16-10-5-11-19-16/h13-17,19-20H,3-12H2,1-2H3
InChIKeyDXJPZEOEJBMSQR-UHFFFAOYSA-N
XLogP2.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide 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,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of N,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide (CID 166238405) is N,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide is CN(C)C(=O)C1CCCC(NC2CCCC2C2CCCN2)C1.
What is the InChIKey of N,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide?
The InChIKey is DXJPZEOEJBMSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-21(2)18(22)13-6-3-7-14(12-13)20-17-9-4-8-15(17)16-10-5-11-19-16/h13-17,19-20H,3-12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide?
N,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide has a molecular weight of 307.48 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 166238405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).