7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride

C15H33ClN2O — CID 119820235

IUPAC7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride
SMILESCC(C)CC(C)(C)CNC(=O)CCCCCCN.Cl
InChIInChI=1S/C15H32N2O.ClH/c1-13(2)11-15(3,4)12-17-14(18)9-7-5-6-8-10-16;/h13H,5-12,16H2,1-4H3,(H,17,18);1H
InChIKeyXGSWIJKDMCJFSQ-UHFFFAOYSA-N
MW292.90 g/mol
LogP3.51
Rot. Bonds10

About 7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride

7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride (PubChem CID 119820235) has the molecular formula C15H33ClN2O and a molecular weight of 292.90 g/mol. Its IUPAC name is 7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride
PubChem CID119820235
Molecular FormulaC15H33ClN2O
Molecular Weight292.90 g/mol
Exact Mass292.23
IUPAC Name7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride
SMILESCC(C)CC(C)(C)CNC(=O)CCCCCCN.Cl
InChIInChI=1S/C15H32N2O.ClH/c1-13(2)11-15(3,4)12-17-14(18)9-7-5-6-8-10-16;/h13H,5-12,16H2,1-4H3,(H,17,18);1H
InChIKeyXGSWIJKDMCJFSQ-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.90
LogP ≤ 53.51
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

4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide
CID 115163175
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)pentanamide
CID 115360270
6-amino-N-(2-hydroxy-2-methylpropyl)hexanamide
CID 65106883
6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide
CID 24697839
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide
CID 24701938
5-amino-N-(4-hydroxy-2,2-dimethylbutyl)pentanamide
CID 106147943
N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide
CID 115271093
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide
CID 79550577
6-amino-N-[2-(dimethylamino)-2-methylpropyl]hexanamide
CID 61249637
2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
CID 119820253
7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride
CID 119796493

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride (CID 119820235) is 7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride is CC(C)CC(C)(C)CNC(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride?
The InChIKey is XGSWIJKDMCJFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O.ClH/c1-13(2)11-15(3,4)12-17-14(18)9-7-5-6-8-10-16;/h13H,5-12,16H2,1-4H3,(H,17,18);1H.
What are the key properties of 7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride?
7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride has a molecular weight of 292.90 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride is sourced from PubChem (CID 119820235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).