(2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride

C11H25ClN2O — CID 119344448

IUPAC(2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride
SMILESCC(C)CC(C)(C)CNC(=O)[C@H](C)N.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-8(2)6-11(4,5)7-13-10(14)9(3)12;/h8-9H,6-7,12H2,1-5H3,(H,13,14);1H/t9-;/m0./s1
InChIKeyZDNSNECQVSAYGJ-FVGYRXGTSA-N
MW236.79 g/mol
LogP1.94
Rot. Bonds5

About (2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride

(2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride (PubChem CID 119344448) has the molecular formula C11H25ClN2O and a molecular weight of 236.79 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride
PubChem CID119344448
Molecular FormulaC11H25ClN2O
Molecular Weight236.79 g/mol
Exact Mass236.17
IUPAC Name(2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride
SMILESCC(C)CC(C)(C)CNC(=O)[C@H](C)N.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-8(2)6-11(4,5)7-13-10(14)9(3)12;/h8-9H,6-7,12H2,1-5H3,(H,13,14);1H/t9-;/m0./s1
InChIKeyZDNSNECQVSAYGJ-FVGYRXGTSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115360252
2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide
CID 119820265
3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
CID 115427893
2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide
CID 130551934
2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
CID 119820253
1-amino-N-(2,2,4-trimethylpentyl)cyclopentane-1-carboxamide;hydrochloride
CID 119344457
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide
CID 115190376
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide
CID 61249640
2-amino-N-(2,2-dimethylbutyl)-4-methylpentanamide
CID 103461635
7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride
CID 119820235

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride (CID 119344448) is (2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride is CC(C)CC(C)(C)CNC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride?
The InChIKey is ZDNSNECQVSAYGJ-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H24N2O.ClH/c1-8(2)6-11(4,5)7-13-10(14)9(3)12;/h8-9H,6-7,12H2,1-5H3,(H,13,14);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride?
(2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride has a molecular weight of 236.79 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride is sourced from PubChem (CID 119344448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).