7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride

C12H27ClN2O — CID 119678384

IUPAC7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
SMILESCC(C)C(C)NC(=O)CCCCCCN.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-10(2)11(3)14-12(15)8-6-4-5-7-9-13;/h10-11H,4-9,13H2,1-3H3,(H,14,15);1H
InChIKeyXRFYARUHNDXKIS-UHFFFAOYSA-N
MW250.81 g/mol
LogP2.48
Rot. Bonds8

About 7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride

7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride (PubChem CID 119678384) has the molecular formula C12H27ClN2O and a molecular weight of 250.81 g/mol. Its IUPAC name is 7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
PubChem CID119678384
Molecular FormulaC12H27ClN2O
Molecular Weight250.81 g/mol
Exact Mass250.18
IUPAC Name7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
SMILESCC(C)C(C)NC(=O)CCCCCCN.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-10(2)11(3)14-12(15)8-6-4-5-7-9-13;/h10-11H,4-9,13H2,1-3H3,(H,14,15);1H
InChIKeyXRFYARUHNDXKIS-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.81
LogP ≤ 52.48
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

7-amino-N-(3-methylpentan-2-yl)heptanamide
CID 61464292
2-(6-aminohexanoylamino)-3-methylbutanoic acid
CID 61157155
methyl (2S)-2-(6-aminohexanoylamino)-3-methylbutanoate
CID 43707609
7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79250170
4-amino-N-(3-methylpentan-2-yl)butanamide
CID 61464020
7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride
CID 119878453
7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride
CID 119796493
6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide
CID 163435862
5-bromo-N-(3-methylbutan-2-yl)pentanamide
CID 107907391
5-amino-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177679
N-(6-aminohexan-2-yl)octanamide
CID 123172105
7-amino-N-(1-methoxypropan-2-yl)heptanamide
CID 24700699

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride (CID 119678384) is 7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride is CC(C)C(C)NC(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride?
The InChIKey is XRFYARUHNDXKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.ClH/c1-10(2)11(3)14-12(15)8-6-4-5-7-9-13;/h10-11H,4-9,13H2,1-3H3,(H,14,15);1H.
What are the key properties of 7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride?
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride has a molecular weight of 250.81 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride is sourced from PubChem (CID 119678384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).