(2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide

C15H32N2O — CID 90320269

IUPAC(2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide
SMILESCCCCC[C@@H](N)C(=O)NCCCCC(C)(C)C
InChIInChI=1S/C15H32N2O/c1-5-6-7-10-13(16)14(18)17-12-9-8-11-15(2,3)4/h13H,5-12,16H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyAXNNATDOPWYOSL-CYBMUJFWSA-N
MW256.43 g/mol
LogP3.23
Rot. Bonds9

About (2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide

(2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide (PubChem CID 90320269) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is (2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide
PubChem CID90320269
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name(2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide
SMILESCCCCC[C@@H](N)C(=O)NCCCCC(C)(C)C
InChIInChI=1S/C15H32N2O/c1-5-6-7-10-13(16)14(18)17-12-9-8-11-15(2,3)4/h13H,5-12,16H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyAXNNATDOPWYOSL-CYBMUJFWSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.23
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

2-amino-N-hexylhexanamide
CID 60852762
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
2-amino-N-(5,5-dimethylhexyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119957267
2-amino-N-(3,3-dimethylbutyl)pentanamide
CID 112687728
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
1-(6,6-dimethylheptyl)-3-pentylurea
CID 143912834
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(octadecylamino)hexanamide
CID 11621214
(2R)-2-amino-N-butylpentanamide
CID 82668431
[5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid
CID 57250852
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide?
The IUPAC name of (2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide (CID 90320269) is (2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide.
What is the SMILES notation for (2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide?
The canonical SMILES for (2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide is CCCCC[C@@H](N)C(=O)NCCCCC(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide?
The InChIKey is AXNNATDOPWYOSL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-6-7-10-13(16)14(18)17-12-9-8-11-15(2,3)4/h13H,5-12,16H2,1-4H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide?
(2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide has a molecular weight of 256.43 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide is sourced from PubChem (CID 90320269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).