N-(2-amino-3-ethylpentyl)hexanamide

C13H28N2O — CID 106285983

IUPACN-(2-amino-3-ethylpentyl)hexanamide
SMILESCCCCCC(=O)NCC(N)C(CC)CC
InChIInChI=1S/C13H28N2O/c1-4-7-8-9-13(16)15-10-12(14)11(5-2)6-3/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyXKQUIHOQXTYSPC-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.45
Rot. Bonds9

About N-(2-amino-3-ethylpentyl)hexanamide

N-(2-amino-3-ethylpentyl)hexanamide (PubChem CID 106285983) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(2-amino-3-ethylpentyl)hexanamide.

Molecular Properties

Compound NameN-(2-amino-3-ethylpentyl)hexanamide
PubChem CID106285983
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(2-amino-3-ethylpentyl)hexanamide
SMILESCCCCCC(=O)NCC(N)C(CC)CC
InChIInChI=1S/C13H28N2O/c1-4-7-8-9-13(16)15-10-12(14)11(5-2)6-3/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyXKQUIHOQXTYSPC-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-3-ethylpentyl)butanamide
CID 106285745
N-(2-bromo-3-ethylpentyl)hexanamide
CID 106287879
N-(2-bromo-3-ethylpentyl)decanamide
CID 106288042
N-(2-aminopropyl)octadecanamide
CID 86003506
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
N-(2-amino-4-hydroxybutyl)dodecanamide
CID 54436170
N-(2-amino-4-methylpentyl)dodecanamide
CID 107158867
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-(2-aminopentyl)pentanamide
CID 115737691
N-(2-methylpentyl)hexanamide
CID 173325003
methyl 3-(decanoylamino)-2-hydroxypropanoate
CID 103957869
N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide
CID 106286145

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-ethylpentyl)hexanamide?
The IUPAC name of N-(2-amino-3-ethylpentyl)hexanamide (CID 106285983) is N-(2-amino-3-ethylpentyl)hexanamide.
What is the SMILES notation for N-(2-amino-3-ethylpentyl)hexanamide?
The canonical SMILES for N-(2-amino-3-ethylpentyl)hexanamide is CCCCCC(=O)NCC(N)C(CC)CC.
What is the InChIKey of N-(2-amino-3-ethylpentyl)hexanamide?
The InChIKey is XKQUIHOQXTYSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-7-8-9-13(16)15-10-12(14)11(5-2)6-3/h11-12H,4-10,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-amino-3-ethylpentyl)hexanamide?
N-(2-amino-3-ethylpentyl)hexanamide has a molecular weight of 228.38 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-ethylpentyl)hexanamide is sourced from PubChem (CID 106285983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).