7-amino-N-(3-methylpentan-2-yl)heptanamide

C13H28N2O — CID 61464292

IUPAC7-amino-N-(3-methylpentan-2-yl)heptanamide
SMILESCCC(C)C(C)NC(=O)CCCCCCN
InChIInChI=1S/C13H28N2O/c1-4-11(2)12(3)15-13(16)9-7-5-6-8-10-14/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyQSCYWZNCAVIIKP-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.45
Rot. Bonds9

About 7-amino-N-(3-methylpentan-2-yl)heptanamide

7-amino-N-(3-methylpentan-2-yl)heptanamide (PubChem CID 61464292) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 7-amino-N-(3-methylpentan-2-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(3-methylpentan-2-yl)heptanamide
PubChem CID61464292
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name7-amino-N-(3-methylpentan-2-yl)heptanamide
SMILESCCC(C)C(C)NC(=O)CCCCCCN
InChIInChI=1S/C13H28N2O/c1-4-11(2)12(3)15-13(16)9-7-5-6-8-10-14/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyQSCYWZNCAVIIKP-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'}

Analyze 7-amino-N-(3-methylpentan-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

4-amino-N-(3-methylpentan-2-yl)butanamide
CID 61464020
10-hydroxy-N-(3-methylpentan-2-yl)decanamide
CID 177174956
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
methyl (2S)-2-(6-aminohexanoylamino)-3-methylbutanoate
CID 43707609
N-[(2R)-3-methylpentan-2-yl]propanamide
CID 145216410
N-(6-aminohexan-2-yl)octanamide
CID 123172105
7-amino-N-(1-methoxypropan-2-yl)heptanamide
CID 24700699
7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride
CID 119784017
N-(4-hydroxy-3-methylbutan-2-yl)decanamide
CID 115770870
2-(6-aminohexanoylamino)-3-methylbutanoic acid
CID 61157155
7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide
CID 43579253
7-amino-N-hexan-3-ylheptanamide;hydrochloride
CID 119757664

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-methylpentan-2-yl)heptanamide?
The IUPAC name of 7-amino-N-(3-methylpentan-2-yl)heptanamide (CID 61464292) is 7-amino-N-(3-methylpentan-2-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(3-methylpentan-2-yl)heptanamide?
The canonical SMILES for 7-amino-N-(3-methylpentan-2-yl)heptanamide is CCC(C)C(C)NC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-(3-methylpentan-2-yl)heptanamide?
The InChIKey is QSCYWZNCAVIIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-11(2)12(3)15-13(16)9-7-5-6-8-10-14/h11-12H,4-10,14H2,1-3H3,(H,15,16).
What are the key properties of 7-amino-N-(3-methylpentan-2-yl)heptanamide?
7-amino-N-(3-methylpentan-2-yl)heptanamide 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 7-amino-N-(3-methylpentan-2-yl)heptanamide is sourced from PubChem (CID 61464292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).