4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide

C13H27N3O — CID 62782736

IUPAC4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NCC(C)N(C)C)CCC1N
InChIInChI=1S/C13H27N3O/c1-9-7-11(5-6-12(9)14)13(17)15-8-10(2)16(3)4/h9-12H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyBAHNUNVMTKQKIF-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.82
Rot. Bonds4

About 4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide

4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide (PubChem CID 62782736) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide
PubChem CID62782736
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NCC(C)N(C)C)CCC1N
InChIInChI=1S/C13H27N3O/c1-9-7-11(5-6-12(9)14)13(17)15-8-10(2)16(3)4/h9-12H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyBAHNUNVMTKQKIF-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-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

2-amino-N-[2-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 114995868
4-amino-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62782491
4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104766026
4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 55115402
4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 103113502
4-amino-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62777735
4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 63840862
4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 62783259
4-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62782835
3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide
CID 102915394
4-amino-3-methyl-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 115522308
4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 62782597

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide (CID 62782736) is 4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide is CC1CC(C(=O)NCC(C)N(C)C)CCC1N.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is BAHNUNVMTKQKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-9-7-11(5-6-12(9)14)13(17)15-8-10(2)16(3)4/h9-12H,5-8,14H2,1-4H3,(H,15,17).
What are the key properties of 4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide?
4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62782736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).