7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide

C15H32N2O — CID 119796530

IUPAC7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide
SMILESCC(CCC(C)(C)C)NC(=O)CCCCCCN
InChIInChI=1S/C15H32N2O/c1-13(10-11-15(2,3)4)17-14(18)9-7-5-6-8-12-16/h13H,5-12,16H2,1-4H3,(H,17,18)
InChIKeyZUSZVRCGYBNJAW-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.23
Rot. Bonds9

About 7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide

7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide (PubChem CID 119796530) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide
PubChem CID119796530
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide
SMILESCC(CCC(C)(C)C)NC(=O)CCCCCCN
InChIInChI=1S/C15H32N2O/c1-13(10-11-15(2,3)4)17-14(18)9-7-5-6-8-12-16/h13H,5-12,16H2,1-4H3,(H,17,18)
InChIKeyZUSZVRCGYBNJAW-UHFFFAOYSA-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'}

Analyze 7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177679
N-(6-aminohexan-2-yl)octanamide
CID 123172105
7-amino-N-(4-methoxy-4-methylpentan-2-yl)heptanamide;hydrochloride
CID 119803209
4-amino-N-(5,5-dimethylhexan-2-yl)pentanamide;hydrochloride
CID 120563103
7-amino-N-(1-methoxypropan-2-yl)heptanamide
CID 24700699
N-(4-aminobutan-2-yl)octanamide
CID 62087208
6-(5-aminopentanoylamino)-2-methylheptanoic acid
CID 65286275
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
6-amino-N-[5-(diethylamino)pentan-2-yl]hexanamide
CID 24702267
2-(6-aminohexanoylamino)-3-methylbutanoic acid
CID 61157155
4-amino-N-(4-methoxy-4-methylpentan-2-yl)butanamide
CID 119334828
6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide
CID 163435862

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide?
The IUPAC name of 7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide (CID 119796530) is 7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide?
The canonical SMILES for 7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide is CC(CCC(C)(C)C)NC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide?
The InChIKey is ZUSZVRCGYBNJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13(10-11-15(2,3)4)17-14(18)9-7-5-6-8-12-16/h13H,5-12,16H2,1-4H3,(H,17,18).
What are the key properties of 7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide?
7-amino-N-(5,5-dimethylhexan-2-yl)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 7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide is sourced from PubChem (CID 119796530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).