N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride

C11H25ClN2O — CID 119775744

IUPACN-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCCCCC(C)(C)C.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-11(2,3)7-5-6-8-13-10(14)9-12-4;/h12H,5-9H2,1-4H3,(H,13,14);1H
InChIKeyZBFHRIOIWUPXLZ-UHFFFAOYSA-N
MW236.79 g/mol
LogP1.96
Rot. Bonds6

About N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride

N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride (PubChem CID 119775744) has the molecular formula C11H25ClN2O and a molecular weight of 236.79 g/mol. Its IUPAC name is N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride
PubChem CID119775744
Molecular FormulaC11H25ClN2O
Molecular Weight236.79 g/mol
Exact Mass236.17
IUPAC NameN-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCCCCC(C)(C)C.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-11(2,3)7-5-6-8-13-10(14)9-12-4;/h12H,5-9H2,1-4H3,(H,13,14);1H
InChIKeyZBFHRIOIWUPXLZ-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 51.96
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

2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide
CID 177413313
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CID 59197749
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-(4-hydroxybutyl)-2-(methylamino)acetamide
CID 106841932
N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride
CID 56832092
N-(5,5-dimethylhexyl)propanamide;N-ethylpropanamide;N-methylethanamine;bis(yttrium)
CID 59189533
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
3-amino-N-(5,5-dimethylhexyl)propanamide
CID 119318983
N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide
CID 119775757
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
N-decyl-7,7-dimethyloctanamide
CID 139961894
N-(3-cyclopropylpropyl)-2-(methylamino)acetamide
CID 115740545

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride (CID 119775744) is N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NCCCCC(C)(C)C.Cl.
What is the InChIKey of N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride?
The InChIKey is ZBFHRIOIWUPXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.ClH/c1-11(2,3)7-5-6-8-13-10(14)9-12-4;/h12H,5-9H2,1-4H3,(H,13,14);1H.
What are the key properties of N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride?
N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride has a molecular weight of 236.79 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119775744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).