2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide

C13H27N3O — CID 62006925

IUPAC2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)C1(CN)CCC(C)CC1
InChIInChI=1S/C13H27N3O/c1-4-16(9-12(17)15-3)13(10-14)7-5-11(2)6-8-13/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyVGINQBSSZGDCII-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds5

About 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide

2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide (PubChem CID 62006925) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide
PubChem CID62006925
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)C1(CN)CCC(C)CC1
InChIInChI=1S/C13H27N3O/c1-4-16(9-12(17)15-3)13(10-14)7-5-11(2)6-8-13/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyVGINQBSSZGDCII-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide 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-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 62006571
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide
CID 62006572
3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide
CID 62326211
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide
CID 62009108
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide
CID 62007948
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide
CID 62008317
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide
CID 62007304
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide
CID 62007297
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 65458490
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide
CID 62007288
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide
CID 62007529
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide
CID 62007946

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide (CID 62006925) is 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)C1(CN)CCC(C)CC1.
What is the InChIKey of 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide?
The InChIKey is VGINQBSSZGDCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-16(9-12(17)15-3)13(10-14)7-5-11(2)6-8-13/h11H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide?
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide is sourced from PubChem (CID 62006925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).