(2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide

C11H22N2O — CID 15511724

IUPAC(2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide
SMILESC=CCCCN(C)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H22N2O/c1-5-6-7-8-13(4)11(14)10(12)9(2)3/h5,9-10H,1,6-8,12H2,2-4H3/t10-/m0/s1
InChIKeyNPAYRMRXDKZFNQ-JTQLQIEISA-N
MW198.31 g/mol
LogP1.39
Rot. Bonds6

About (2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide

(2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide (PubChem CID 15511724) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide
PubChem CID15511724
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide
SMILESC=CCCCN(C)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H22N2O/c1-5-6-7-8-13(4)11(14)10(12)9(2)3/h5,9-10H,1,6-8,12H2,2-4H3/t10-/m0/s1
InChIKeyNPAYRMRXDKZFNQ-JTQLQIEISA-N
XLogP1.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
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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Related Compounds

2-amino-N-methyl-N-pent-4-enylbutanamide
CID 115734607
2-amino-N-[3-(dimethylamino)propyl]-N,3-dimethylbutanamide
CID 63693134
(2R)-2-amino-N-methyl-N-pent-4-enylpentanamide
CID 103797423
3-amino-2-methylnon-8-en-4-one
CID 116549029
2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide
CID 120794202
ethane;N-methyl-N-pent-4-enylacetamide
CID 143214157
N-methyl-N-pent-4-enylpropanamide
CID 115640317
2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 43588760
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 61154408
2-amino-N,3-dimethyl-N-(2-methylpropyl)butanamide
CID 43272154
2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide
CID 120793870
2-amino-N,3-dimethyl-N-(2-oxopropyl)butanamide;ethane
CID 143701294

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide?
The IUPAC name of (2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide (CID 15511724) is (2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide.
What is the SMILES notation for (2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide?
The canonical SMILES for (2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide is C=CCCCN(C)C(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide?
The InChIKey is NPAYRMRXDKZFNQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-6-7-8-13(4)11(14)10(12)9(2)3/h5,9-10H,1,6-8,12H2,2-4H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide?
(2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide has a molecular weight of 198.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide is sourced from PubChem (CID 15511724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).