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

C10H23ClN2O — CID 86592163

IUPAC(2S)-2-amino-N-butylhexanamide;hydrochloride
SMILESCCCCNC(=O)[C@@H](N)CCCC.Cl
InChIInChI=1S/C10H22N2O.ClH/c1-3-5-7-9(11)10(13)12-8-6-4-2;/h9H,3-8,11H2,1-2H3,(H,12,13);1H/t9-;/m0./s1
InChIKeyFHCVVQHLJMLDRO-FVGYRXGTSA-N
MW222.76 g/mol
LogP1.84
Rot. Bonds7

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

(2S)-2-amino-N-butylhexanamide;hydrochloride (PubChem CID 86592163) has the molecular formula C10H23ClN2O and a molecular weight of 222.76 g/mol. Its IUPAC name is (2S)-2-amino-N-butylhexanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-butylhexanamide;hydrochloride
PubChem CID86592163
Molecular FormulaC10H23ClN2O
Molecular Weight222.76 g/mol
Exact Mass222.15
IUPAC Name(2S)-2-amino-N-butylhexanamide;hydrochloride
SMILESCCCCNC(=O)[C@@H](N)CCCC.Cl
InChIInChI=1S/C10H22N2O.ClH/c1-3-5-7-9(11)10(13)12-8-6-4-2;/h9H,3-8,11H2,1-2H3,(H,12,13);1H/t9-;/m0./s1
InChIKeyFHCVVQHLJMLDRO-FVGYRXGTSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 51.84
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

(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
2-amino-N-hexylhexanamide
CID 60852762
(2R)-2-amino-N-butylpentanamide
CID 82668431
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
(2S)-2-amino-N-butyl-4-chlorobutanamide
CID 169302216
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2S)-2-amino-N-[4-(propan-2-ylamino)butyl]hexanamide
CID 167615708
(2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide
CID 103831986
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618
(2S)-2-amino-N-methylhexanamide;hydrochloride
CID 141190381
(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
CID 22801050
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-butylhexanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-butylhexanamide;hydrochloride (CID 86592163) is (2S)-2-amino-N-butylhexanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-butylhexanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-butylhexanamide;hydrochloride is CCCCNC(=O)[C@@H](N)CCCC.Cl.
What is the InChIKey of (2S)-2-amino-N-butylhexanamide;hydrochloride?
The InChIKey is FHCVVQHLJMLDRO-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H22N2O.ClH/c1-3-5-7-9(11)10(13)12-8-6-4-2;/h9H,3-8,11H2,1-2H3,(H,12,13);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-butylhexanamide;hydrochloride?
(2S)-2-amino-N-butylhexanamide;hydrochloride has a molecular weight of 222.76 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-butylhexanamide;hydrochloride is sourced from PubChem (CID 86592163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).