(2S)-2-amino-N-methylhexanamide;hydrochloride

C7H17ClN2O — CID 141190381

IUPAC(2S)-2-amino-N-methylhexanamide;hydrochloride
SMILESCCCC[C@H](N)C(=O)NC.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-3-4-5-6(8)7(10)9-2;/h6H,3-5,8H2,1-2H3,(H,9,10);1H/t6-;/m0./s1
InChIKeyGEKITBCXGBOWLI-RGMNGODLSA-N
MW180.68 g/mol
LogP0.67
Rot. Bonds4

About (2S)-2-amino-N-methylhexanamide;hydrochloride

(2S)-2-amino-N-methylhexanamide;hydrochloride (PubChem CID 141190381) has the molecular formula C7H17ClN2O and a molecular weight of 180.68 g/mol. Its IUPAC name is (2S)-2-amino-N-methylhexanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-methylhexanamide;hydrochloride
PubChem CID141190381
Molecular FormulaC7H17ClN2O
Molecular Weight180.68 g/mol
Exact Mass180.10
IUPAC Name(2S)-2-amino-N-methylhexanamide;hydrochloride
SMILESCCCC[C@H](N)C(=O)NC.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-3-4-5-6(8)7(10)9-2;/h6H,3-5,8H2,1-2H3,(H,9,10);1H/t6-;/m0./s1
InChIKeyGEKITBCXGBOWLI-RGMNGODLSA-N
XLogP0.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methyltetradecanamide
CID 88912425
2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]hexanamide
CID 61467506
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
(2S)-2-amino-N,6-dimethylheptanamide
CID 166554166
2-amino-5-hydroxy-N-methylpentanamide;ethane
CID 155713743
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
2,6-diamino-N-methylhexanamide;ethane
CID 142474602
2-amino-N-hexylhexanamide
CID 60852762
2-amino-6-hydrazinyl-N-methylhexanamide
CID 167194114
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2R)-2-amino-N-methylbutanamide
CID 14888796
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methylhexanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-methylhexanamide;hydrochloride (CID 141190381) is (2S)-2-amino-N-methylhexanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-methylhexanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-methylhexanamide;hydrochloride is CCCC[C@H](N)C(=O)NC.Cl.
What is the InChIKey of (2S)-2-amino-N-methylhexanamide;hydrochloride?
The InChIKey is GEKITBCXGBOWLI-RGMNGODLSA-N. The full InChI is InChI=1S/C7H16N2O.ClH/c1-3-4-5-6(8)7(10)9-2;/h6H,3-5,8H2,1-2H3,(H,9,10);1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-N-methylhexanamide;hydrochloride?
(2S)-2-amino-N-methylhexanamide;hydrochloride has a molecular weight of 180.68 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methylhexanamide;hydrochloride is sourced from PubChem (CID 141190381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).