2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide

C13H27N3O — CID 79468061

IUPAC2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C1CCCC(N)C1
InChIInChI=1S/C13H27N3O/c1-4-16(9-13(17)15-10(2)3)12-7-5-6-11(14)8-12/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyIEOWRHNWXWLCJQ-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.10
Rot. Bonds5

About 2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide

2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide (PubChem CID 79468061) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide
PubChem CID79468061
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C1CCCC(N)C1
InChIInChI=1S/C13H27N3O/c1-4-16(9-13(17)15-10(2)3)12-7-5-6-11(14)8-12/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyIEOWRHNWXWLCJQ-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide 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 2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide (CID 79468061) is 2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C1CCCC(N)C1.
What is the InChIKey of 2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is IEOWRHNWXWLCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-16(9-13(17)15-10(2)3)12-7-5-6-11(14)8-12/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide?
2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 241.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 79468061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).