5-amino-N,N-dihexyl-2-methylpentanamide

C18H38N2O — CID 104684478

IUPAC5-amino-N,N-dihexyl-2-methylpentanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(C)CCCN
InChIInChI=1S/C18H38N2O/c1-4-6-8-10-15-20(16-11-9-7-5-2)18(21)17(3)13-12-14-19/h17H,4-16,19H2,1-3H3
InChIKeyNVQGECSSNANIGG-UHFFFAOYSA-N
MW298.51 g/mol
LogP4.35
Rot. Bonds14

About 5-amino-N,N-dihexyl-2-methylpentanamide

5-amino-N,N-dihexyl-2-methylpentanamide (PubChem CID 104684478) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 5-amino-N,N-dihexyl-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N,N-dihexyl-2-methylpentanamide
PubChem CID104684478
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name5-amino-N,N-dihexyl-2-methylpentanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(C)CCCN
InChIInChI=1S/C18H38N2O/c1-4-6-8-10-15-20(16-11-9-7-5-2)18(21)17(3)13-12-14-19/h17H,4-16,19H2,1-3H3
InChIKeyNVQGECSSNANIGG-UHFFFAOYSA-N
XLogP4.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-amino-N,N-dihexyl-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

4-amino-2-methyl-N,N-dipentylbutanamide
CID 80542996
N,N-dibutyl-2-methylpentanamide
CID 2904869
2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid
CID 115867094
2-amino-N,N-dihexylpropanamide
CID 54872127
N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide
CID 10310351
1-(4-aminobutyl)-1-octadecylurea
CID 139835772
N,N-didodecyl-2-hydroxyoctadecanamide
CID 175541857
2-chloro-N,N-dihexylpropanamide
CID 533081
5-amino-N-ethyl-N-(2-ethylbutyl)-2-methylpentanamide
CID 113440847
3-chloro-N-heptyl-N-(3-hydroxypropyl)-2-methylpropanamide
CID 55111093
5-amino-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)pentanamide
CID 104684451
(2R)-2-amino-N,N-dipentylpentanamide
CID 93372351

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-dihexyl-2-methylpentanamide?
The IUPAC name of 5-amino-N,N-dihexyl-2-methylpentanamide (CID 104684478) is 5-amino-N,N-dihexyl-2-methylpentanamide.
What is the SMILES notation for 5-amino-N,N-dihexyl-2-methylpentanamide?
The canonical SMILES for 5-amino-N,N-dihexyl-2-methylpentanamide is CCCCCCN(CCCCCC)C(=O)C(C)CCCN.
What is the InChIKey of 5-amino-N,N-dihexyl-2-methylpentanamide?
The InChIKey is NVQGECSSNANIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-4-6-8-10-15-20(16-11-9-7-5-2)18(21)17(3)13-12-14-19/h17H,4-16,19H2,1-3H3.
What are the key properties of 5-amino-N,N-dihexyl-2-methylpentanamide?
5-amino-N,N-dihexyl-2-methylpentanamide has a molecular weight of 298.51 g/mol, XLogP of 4.35, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-dihexyl-2-methylpentanamide is sourced from PubChem (CID 104684478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).