(2S)-2-amino-N-hex-2-enyl-3-methylbutanamide

C11H22N2O — CID 142789853

IUPAC(2S)-2-amino-N-hex-2-enyl-3-methylbutanamide
SMILESCCCC=CCNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H22N2O/c1-4-5-6-7-8-13-11(14)10(12)9(2)3/h6-7,9-10H,4-5,8,12H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyROMIFSMNPGKITF-JTQLQIEISA-N
MW198.31 g/mol
LogP1.44
Rot. Bonds6

About (2S)-2-amino-N-hex-2-enyl-3-methylbutanamide

(2S)-2-amino-N-hex-2-enyl-3-methylbutanamide (PubChem CID 142789853) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-amino-N-hex-2-enyl-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-hex-2-enyl-3-methylbutanamide
PubChem CID142789853
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-2-amino-N-hex-2-enyl-3-methylbutanamide
SMILESCCCC=CCNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H22N2O/c1-4-5-6-7-8-13-11(14)10(12)9(2)3/h6-7,9-10H,4-5,8,12H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyROMIFSMNPGKITF-JTQLQIEISA-N
XLogP1.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-hex-2-enyl-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-hex-2-enyl-3-methylbutanamide (CID 142789853) is (2S)-2-amino-N-hex-2-enyl-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-hex-2-enyl-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-hex-2-enyl-3-methylbutanamide is CCCC=CCNC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-hex-2-enyl-3-methylbutanamide?
The InChIKey is ROMIFSMNPGKITF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-5-6-7-8-13-11(14)10(12)9(2)3/h6-7,9-10H,4-5,8,12H2,1-3H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-hex-2-enyl-3-methylbutanamide?
(2S)-2-amino-N-hex-2-enyl-3-methylbutanamide has a molecular weight of 198.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-hex-2-enyl-3-methylbutanamide is sourced from PubChem (CID 142789853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).