(2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide

C12H24N2O — CID 11745942

IUPAC(2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide
SMILESC=CCCCCNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-5-6-7-8-9-14-11(15)10(13)12(2,3)4/h5,10H,1,6-9,13H2,2-4H3,(H,14,15)/t10-/m1/s1
InChIKeyLSTWXPALVFYLLT-SNVBAGLBSA-N
MW212.34 g/mol
LogP1.83
Rot. Bonds6

About (2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide

(2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide (PubChem CID 11745942) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide
PubChem CID11745942
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide
SMILESC=CCCCCNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-5-6-7-8-9-14-11(15)10(13)12(2,3)4/h5,10H,1,6-9,13H2,2-4H3,(H,14,15)/t10-/m1/s1
InChIKeyLSTWXPALVFYLLT-SNVBAGLBSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-5-enyl-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide (CID 11745942) is (2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide is C=CCCCCNC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide?
The InChIKey is LSTWXPALVFYLLT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-6-7-8-9-14-11(15)10(13)12(2,3)4/h5,10H,1,6-9,13H2,2-4H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide?
(2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide has a molecular weight of 212.34 g/mol, XLogP of 1.83, 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-5-enyl-3,3-dimethylbutanamide is sourced from PubChem (CID 11745942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).