7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride

C13H29ClN2O2 — CID 119784017

IUPAC7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride
SMILESCCC(C)C(O)CNC(=O)CCCCCCN.Cl
InChIInChI=1S/C13H28N2O2.ClH/c1-3-11(2)12(16)10-15-13(17)8-6-4-5-7-9-14;/h11-12,16H,3-10,14H2,1-2H3,(H,15,17);1H
InChIKeyFYFBYTRUHIFINT-UHFFFAOYSA-N
MW280.84 g/mol
LogP1.84
Rot. Bonds10

About 7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride

7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride (PubChem CID 119784017) has the molecular formula C13H29ClN2O2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride
PubChem CID119784017
Molecular FormulaC13H29ClN2O2
Molecular Weight280.84 g/mol
Exact Mass280.19
IUPAC Name7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride
SMILESCCC(C)C(O)CNC(=O)CCCCCCN.Cl
InChIInChI=1S/C13H28N2O2.ClH/c1-3-11(2)12(16)10-15-13(17)8-6-4-5-7-9-14;/h11-12,16H,3-10,14H2,1-2H3,(H,15,17);1H
InChIKeyFYFBYTRUHIFINT-UHFFFAOYSA-N
XLogP1.84
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-(2-methylbutyl)heptanamide
CID 62693522
7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride
CID 119796493
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
7-amino-N-(3-methylpentan-2-yl)heptanamide
CID 61464292
5-amino-N-(2,2-diethoxyethyl)pentanamide
CID 79547358
2-[(6-aminohexanoylamino)methyl]-3-methylbutanoic acid
CID 65224486
N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide
CID 106288862
5-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 66090702
5-amino-N-dodecylpentanamide;hydrochloride
CID 135363918
6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 61247753
6-amino-N-pentylhexanamide;hydrochloride
CID 51041459
7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
CID 61249058

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride (CID 119784017) is 7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride is CCC(C)C(O)CNC(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride?
The InChIKey is FYFBYTRUHIFINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2.ClH/c1-3-11(2)12(16)10-15-13(17)8-6-4-5-7-9-14;/h11-12,16H,3-10,14H2,1-2H3,(H,15,17);1H.
What are the key properties of 7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride?
7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride has a molecular weight of 280.84 g/mol, XLogP of 1.84, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride is sourced from PubChem (CID 119784017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).