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

Related Compounds

2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide
CID 79467932
2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 106592776
2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide
CID 103983310
2-(3-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777908
2-[ethyl-(2-oxocyclohexyl)amino]-N-propan-2-ylacetamide
CID 62036694
2-[3-aminopropyl(cyclopentyl)amino]-N-propan-2-ylacetamide
CID 43137564
3-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 66010622
2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide
CID 79469564
2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 64824749
2-[ethyl-(4-hydroxypyrrolidin-3-yl)amino]-N-propan-2-ylacetamide
CID 63701851
2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide
CID 106592635
N-butan-2-yl-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60805793

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).