2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride

C11H25ClN2O — CID 119820253

IUPAC2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
SMILESCNCC(=O)NCC(C)(C)CC(C)C.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-9(2)6-11(3,4)8-13-10(14)7-12-5;/h9,12H,6-8H2,1-5H3,(H,13,14);1H
InChIKeyBOCGLFNEKBWICK-UHFFFAOYSA-N
MW236.79 g/mol
LogP1.82
Rot. Bonds6

About 2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride

2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride (PubChem CID 119820253) has the molecular formula C11H25ClN2O and a molecular weight of 236.79 g/mol. Its IUPAC name is 2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
PubChem CID119820253
Molecular FormulaC11H25ClN2O
Molecular Weight236.79 g/mol
Exact Mass236.17
IUPAC Name2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
SMILESCNCC(=O)NCC(C)(C)CC(C)C.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-9(2)6-11(3,4)8-13-10(14)7-12-5;/h9,12H,6-8H2,1-5H3,(H,13,14);1H
InChIKeyBOCGLFNEKBWICK-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide
CID 115163175
2-(cyclopropylmethylamino)-N-(2,2,4-trimethylpentyl)acetamide
CID 119820261
2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide
CID 119820265
7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride
CID 119820235
(2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride
CID 119344448
2-(methylamino)-N-(2,2,3,3-tetramethylbutyl)acetamide
CID 115152153
2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide
CID 115190376
2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
CID 119820240
2-phenyl-N-(2,2,4-trimethylpentyl)acetamide
CID 165399012
methyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate
CID 115142651
2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide
CID 103809519
1-amino-N-(2,2,4-trimethylpentyl)cyclopentane-1-carboxamide;hydrochloride
CID 119344457

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride (CID 119820253) is 2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride is CNCC(=O)NCC(C)(C)CC(C)C.Cl.
What is the InChIKey of 2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride?
The InChIKey is BOCGLFNEKBWICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.ClH/c1-9(2)6-11(3,4)8-13-10(14)7-12-5;/h9,12H,6-8H2,1-5H3,(H,13,14);1H.
What are the key properties of 2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride?
2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride has a molecular weight of 236.79 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride is sourced from PubChem (CID 119820253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).