3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide

C13H28N2O — CID 120500484

IUPAC3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCCCCC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-10(11(2)14)12(16)15-9-7-6-8-13(3,4)5/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyVSIXXADFSSPHGR-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.30
Rot. Bonds6

About 3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide

3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide (PubChem CID 120500484) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide
PubChem CID120500484
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCCCCC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-10(11(2)14)12(16)15-9-7-6-8-13(3,4)5/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyVSIXXADFSSPHGR-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.30
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

3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
3-amino-N-(5,5-dimethylhexyl)-2-methyl-3-phenylpropanamide
CID 119775743
N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide
CID 119775757
(2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide
CID 90320269
2-amino-N-(5,5-dimethylhexyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119957267
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
3-amino-N-(5,5-dimethylhexyl)propanamide
CID 119318983
1-amino-N-(5,5-dimethylhexyl)cyclopropane-1-carboxamide
CID 119775725
2-acetamido-N-(4,4-dimethylpentyl)propanamide
CID 162466533
3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 120503040
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide?
The IUPAC name of 3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide (CID 120500484) is 3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide?
The canonical SMILES for 3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide is CC(N)C(C)C(=O)NCCCCC(C)(C)C.
What is the InChIKey of 3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide?
The InChIKey is VSIXXADFSSPHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(11(2)14)12(16)15-9-7-6-8-13(3,4)5/h10-11H,6-9,14H2,1-5H3,(H,15,16).
What are the key properties of 3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide?
3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide has a molecular weight of 228.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide is sourced from PubChem (CID 120500484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).