5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide

C13H27N3O — CID 102706457

IUPAC5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)NCCN(C)C)CC1N
InChIInChI=1S/C13H27N3O/c1-9-7-10(2)12(14)8-11(9)13(17)15-5-6-16(3)4/h9-12H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyYLQCUXVFAMYKME-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.67
Rot. Bonds4

About 5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide

5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide (PubChem CID 102706457) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
PubChem CID102706457
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)NCCN(C)C)CC1N
InChIInChI=1S/C13H27N3O/c1-9-7-10(2)12(14)8-11(9)13(17)15-5-6-16(3)4/h9-12H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyYLQCUXVFAMYKME-UHFFFAOYSA-N
XLogP0.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-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

Related Compounds

5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106052842
2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide
CID 114995087
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 106241357
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706782
4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide
CID 62782762
5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide
CID 62781307
5-amino-N-(2-cyclohexyloxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706761
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopropane-1-carboxamide
CID 114995925
5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 106280309
5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide
CID 102706518
1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109133696
5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706675

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide (CID 102706457) is 5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide is CC1CC(C)C(C(=O)NCCN(C)C)CC1N.
What is the InChIKey of 5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is YLQCUXVFAMYKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-9-7-10(2)12(14)8-11(9)13(17)15-5-6-16(3)4/h9-12H,5-8,14H2,1-4H3,(H,15,17).
What are the key properties of 5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide?
5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102706457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).