2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide

C16H33N3O — CID 61211375

IUPAC2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H33N3O/c1-6-9-15(3,17)14(20)18-12-16(19(4)5)10-7-8-13(2)11-16/h13H,6-12,17H2,1-5H3,(H,18,20)
InChIKeyUNNBTJMDOGFJLK-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.13
Rot. Bonds6

About 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide

2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide (PubChem CID 61211375) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide
PubChem CID61211375
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H33N3O/c1-6-9-15(3,17)14(20)18-12-16(19(4)5)10-7-8-13(2)11-16/h13H,6-12,17H2,1-5H3,(H,18,20)
InChIKeyUNNBTJMDOGFJLK-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide 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-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119861051
2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
CID 78986830
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide
CID 76895695
2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
CID 65229264
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
CID 61211559
2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 61211937
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide
CID 62668555
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide
CID 61211747
(2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 103814097
1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea
CID 110902753

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide (CID 61211375) is 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCC1(N(C)C)CCCC(C)C1.
What is the InChIKey of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide?
The InChIKey is UNNBTJMDOGFJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-9-15(3,17)14(20)18-12-16(19(4)5)10-7-8-13(2)11-16/h13H,6-12,17H2,1-5H3,(H,18,20).
What are the key properties of 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide?
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide has a molecular weight of 283.46 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide is sourced from PubChem (CID 61211375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).