2-amino-N,N-dihexylpropanamide

C15H32N2O — CID 54872127

IUPAC2-amino-N,N-dihexylpropanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(C)N
InChIInChI=1S/C15H32N2O/c1-4-6-8-10-12-17(15(18)14(3)16)13-11-9-7-5-2/h14H,4-13,16H2,1-3H3
InChIKeyUXYWCOBRXHIDPX-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.32
Rot. Bonds11

About 2-amino-N,N-dihexylpropanamide

2-amino-N,N-dihexylpropanamide (PubChem CID 54872127) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-amino-N,N-dihexylpropanamide.

Molecular Properties

Compound Name2-amino-N,N-dihexylpropanamide
PubChem CID54872127
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-amino-N,N-dihexylpropanamide
SMILESCCCCCCN(CCCCCC)C(=O)C(C)N
InChIInChI=1S/C15H32N2O/c1-4-6-8-10-12-17(15(18)14(3)16)13-11-9-7-5-2/h14H,4-13,16H2,1-3H3
InChIKeyUXYWCOBRXHIDPX-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N,N-dihexyl-4-methylpentanamide
CID 104903090
2-[2-aminopropanoyl(2-dodecanoyloxyethyl)amino]ethyl dodecanoate
CID 176872784
2-chloro-N,N-dihexylpropanamide
CID 533081
(2S)-2-amino-4-methyl-N,N-dipentylpentanamide
CID 61164908
(2R)-2-amino-N,N-dipentylpentanamide
CID 93372351
2,2-dichloro-N,N-dihexylacetamide
CID 533320
5-amino-N,N-dihexyl-2-methylpentanamide
CID 104684478
(2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide
CID 61164222
(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
CID 28983163
4-(dipentylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497775
N,N-didodecyl-2-hydroxyoctadecanamide
CID 175541857
2-[2-aminopropanoyl-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate;methanethiol
CID 176950492

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dihexylpropanamide?
The IUPAC name of 2-amino-N,N-dihexylpropanamide (CID 54872127) is 2-amino-N,N-dihexylpropanamide.
What is the SMILES notation for 2-amino-N,N-dihexylpropanamide?
The canonical SMILES for 2-amino-N,N-dihexylpropanamide is CCCCCCN(CCCCCC)C(=O)C(C)N.
What is the InChIKey of 2-amino-N,N-dihexylpropanamide?
The InChIKey is UXYWCOBRXHIDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-6-8-10-12-17(15(18)14(3)16)13-11-9-7-5-2/h14H,4-13,16H2,1-3H3.
What are the key properties of 2-amino-N,N-dihexylpropanamide?
2-amino-N,N-dihexylpropanamide has a molecular weight of 256.43 g/mol, XLogP of 3.32, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dihexylpropanamide is sourced from PubChem (CID 54872127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).