5-amino-N-(3-ethylpentan-3-yl)hexanamide

C13H28N2O — CID 82852348

IUPAC5-amino-N-(3-ethylpentan-3-yl)hexanamide
SMILESCCC(CC)(CC)NC(=O)CCCC(C)N
InChIInChI=1S/C13H28N2O/c1-5-13(6-2,7-3)15-12(16)10-8-9-11(4)14/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyOGYGGYWXYOYNHL-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.59
Rot. Bonds8

About 5-amino-N-(3-ethylpentan-3-yl)hexanamide

5-amino-N-(3-ethylpentan-3-yl)hexanamide (PubChem CID 82852348) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-amino-N-(3-ethylpentan-3-yl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(3-ethylpentan-3-yl)hexanamide
PubChem CID82852348
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name5-amino-N-(3-ethylpentan-3-yl)hexanamide
SMILESCCC(CC)(CC)NC(=O)CCCC(C)N
InChIInChI=1S/C13H28N2O/c1-5-13(6-2,7-3)15-12(16)10-8-9-11(4)14/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyOGYGGYWXYOYNHL-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-pentan-3-ylhexanamide
CID 82848944
ethyl 2-(5-aminohexanoylamino)acetate
CID 82852077
ethyl 2-(5-aminohexanoylamino)propanoate
CID 82851561
5-amino-N-cyanohexanamide
CID 82852451
4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865748
2-(5-aminohexanoylamino)butanoic acid
CID 82851641
N-(3-ethylpentan-3-yl)-3-sulfanylpropanamide
CID 107031128
5-amino-N-(2-cyclopentylethyl)hexanamide
CID 82852565
5-amino-N-(3,3,3-trifluoropropyl)hexanamide
CID 82851486
5-amino-N-(3-hydroxybutyl)hexanamide
CID 82852052
5-amino-N-cyclopropylhexanamide
CID 82848782
5-amino-N-(3-aminopropyl)hexanamide
CID 82851276

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethylpentan-3-yl)hexanamide?
The IUPAC name of 5-amino-N-(3-ethylpentan-3-yl)hexanamide (CID 82852348) is 5-amino-N-(3-ethylpentan-3-yl)hexanamide.
What is the SMILES notation for 5-amino-N-(3-ethylpentan-3-yl)hexanamide?
The canonical SMILES for 5-amino-N-(3-ethylpentan-3-yl)hexanamide is CCC(CC)(CC)NC(=O)CCCC(C)N.
What is the InChIKey of 5-amino-N-(3-ethylpentan-3-yl)hexanamide?
The InChIKey is OGYGGYWXYOYNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-13(6-2,7-3)15-12(16)10-8-9-11(4)14/h11H,5-10,14H2,1-4H3,(H,15,16).
What are the key properties of 5-amino-N-(3-ethylpentan-3-yl)hexanamide?
5-amino-N-(3-ethylpentan-3-yl)hexanamide has a molecular weight of 228.38 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-ethylpentan-3-yl)hexanamide is sourced from PubChem (CID 82852348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).