4-amino-2-methyl-N,N-dipentylbutanamide

C15H32N2O — CID 80542996

IUPAC4-amino-2-methyl-N,N-dipentylbutanamide
SMILESCCCCCN(CCCCC)C(=O)C(C)CCN
InChIInChI=1S/C15H32N2O/c1-4-6-8-12-17(13-9-7-5-2)15(18)14(3)10-11-16/h14H,4-13,16H2,1-3H3
InChIKeyMZUOJJIAZIKPOO-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.18
Rot. Bonds11

About 4-amino-2-methyl-N,N-dipentylbutanamide

4-amino-2-methyl-N,N-dipentylbutanamide (PubChem CID 80542996) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-amino-2-methyl-N,N-dipentylbutanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N,N-dipentylbutanamide
PubChem CID80542996
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name4-amino-2-methyl-N,N-dipentylbutanamide
SMILESCCCCCN(CCCCC)C(=O)C(C)CCN
InChIInChI=1S/C15H32N2O/c1-4-6-8-12-17(13-9-7-5-2)15(18)14(3)10-11-16/h14H,4-13,16H2,1-3H3
InChIKeyMZUOJJIAZIKPOO-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-2-methyl-N,N-dipentylbutanamide 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-N,N-dihexyl-2-methylpentanamide
CID 104684478
N,N-dibutyl-2-methylpentanamide
CID 2904869
2-amino-N,N-dihexylpropanamide
CID 54872127
(2R)-2-amino-N,N-dipentylpentanamide
CID 93372351
4-(dipentylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497775
N,N-dibutyl-3-chloro-2-methylpropanamide
CID 62728082
N,N-didodecyl-2-hydroxyoctadecanamide
CID 175541857
2-chloro-N,N-dihexylpropanamide
CID 533081
(2S)-2-amino-4-methyl-N,N-dipentylpentanamide
CID 61164908
N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide
CID 10310351
3-chloro-N-heptyl-N-(3-hydroxypropyl)-2-methylpropanamide
CID 55111093
N-(3-aminopropyl)-2-methyl-N-propylpropanamide
CID 43136612

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N,N-dipentylbutanamide?
The IUPAC name of 4-amino-2-methyl-N,N-dipentylbutanamide (CID 80542996) is 4-amino-2-methyl-N,N-dipentylbutanamide.
What is the SMILES notation for 4-amino-2-methyl-N,N-dipentylbutanamide?
The canonical SMILES for 4-amino-2-methyl-N,N-dipentylbutanamide is CCCCCN(CCCCC)C(=O)C(C)CCN.
What is the InChIKey of 4-amino-2-methyl-N,N-dipentylbutanamide?
The InChIKey is MZUOJJIAZIKPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-6-8-12-17(13-9-7-5-2)15(18)14(3)10-11-16/h14H,4-13,16H2,1-3H3.
What are the key properties of 4-amino-2-methyl-N,N-dipentylbutanamide?
4-amino-2-methyl-N,N-dipentylbutanamide has a molecular weight of 256.43 g/mol, XLogP of 3.18, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N,N-dipentylbutanamide is sourced from PubChem (CID 80542996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).