2-amino-N-methyl-N-pent-4-enylbutanamide

C10H20N2O — CID 115734607

IUPAC2-amino-N-methyl-N-pent-4-enylbutanamide
SMILESC=CCCCN(C)C(=O)C(N)CC
InChIInChI=1S/C10H20N2O/c1-4-6-7-8-12(3)10(13)9(11)5-2/h4,9H,1,5-8,11H2,2-3H3
InChIKeyMGYBUYSTUXVKFP-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.15
Rot. Bonds6

About 2-amino-N-methyl-N-pent-4-enylbutanamide

2-amino-N-methyl-N-pent-4-enylbutanamide (PubChem CID 115734607) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-amino-N-methyl-N-pent-4-enylbutanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-pent-4-enylbutanamide
PubChem CID115734607
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-amino-N-methyl-N-pent-4-enylbutanamide
SMILESC=CCCCN(C)C(=O)C(N)CC
InChIInChI=1S/C10H20N2O/c1-4-6-7-8-12(3)10(13)9(11)5-2/h4,9H,1,5-8,11H2,2-3H3
InChIKeyMGYBUYSTUXVKFP-UHFFFAOYSA-N
XLogP1.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.15
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'}

Analyze 2-amino-N-methyl-N-pent-4-enylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-methyl-N-pent-4-enylpentanamide
CID 103797423
(2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide
CID 15511724
(2S)-2-amino-N-methyl-N-propylbutanamide
CID 79025089
(2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 79023136
2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 63010217
N-methyl-N-pent-4-enylpropanamide
CID 115640317
(2S)-2-amino-N-hept-6-enyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119328123
2-amino-N-methyl-2-(oxan-4-yl)-N-pent-4-enylacetamide
CID 120794202
ethane;N-methyl-N-pent-4-enylacetamide
CID 143214157
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
(2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide
CID 79024406
(2R)-2-amino-N-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 81055167

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-pent-4-enylbutanamide?
The IUPAC name of 2-amino-N-methyl-N-pent-4-enylbutanamide (CID 115734607) is 2-amino-N-methyl-N-pent-4-enylbutanamide.
What is the SMILES notation for 2-amino-N-methyl-N-pent-4-enylbutanamide?
The canonical SMILES for 2-amino-N-methyl-N-pent-4-enylbutanamide is C=CCCCN(C)C(=O)C(N)CC.
What is the InChIKey of 2-amino-N-methyl-N-pent-4-enylbutanamide?
The InChIKey is MGYBUYSTUXVKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-6-7-8-12(3)10(13)9(11)5-2/h4,9H,1,5-8,11H2,2-3H3.
What are the key properties of 2-amino-N-methyl-N-pent-4-enylbutanamide?
2-amino-N-methyl-N-pent-4-enylbutanamide has a molecular weight of 184.28 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-pent-4-enylbutanamide is sourced from PubChem (CID 115734607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).