N-[1-(dimethylamino)butan-2-yl]-N,4-dimethylpent-4-enamide

C13H26N2O — CID 130219577

IUPACN-[1-(dimethylamino)butan-2-yl]-N,4-dimethylpent-4-enamide
SMILESC=C(C)CCC(=O)N(C)C(CC)CN(C)C
InChIInChI=1S/C13H26N2O/c1-7-12(10-14(4)5)15(6)13(16)9-8-11(2)3/h12H,2,7-10H2,1,3-6H3
InChIKeyQJZYSXKVCVYRNP-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.14
Rot. Bonds7

About N-[1-(dimethylamino)butan-2-yl]-N,4-dimethylpent-4-enamide

N-[1-(dimethylamino)butan-2-yl]-N,4-dimethylpent-4-enamide (PubChem CID 130219577) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[1-(dimethylamino)butan-2-yl]-N,4-dimethylpent-4-enamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)butan-2-yl]-N,4-dimethylpent-4-enamide
PubChem CID130219577
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[1-(dimethylamino)butan-2-yl]-N,4-dimethylpent-4-enamide
SMILESC=C(C)CCC(=O)N(C)C(CC)CN(C)C
InChIInChI=1S/C13H26N2O/c1-7-12(10-14(4)5)15(6)13(16)9-8-11(2)3/h12H,2,7-10H2,1,3-6H3
InChIKeyQJZYSXKVCVYRNP-UHFFFAOYSA-N
XLogP2.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(dimethylamino)butan-2-yl]-N,4-dimethylpent-4-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)butan-2-yl]-N,4-dimethylpent-4-enamide?
The IUPAC name of N-[1-(dimethylamino)butan-2-yl]-N,4-dimethylpent-4-enamide (CID 130219577) is N-[1-(dimethylamino)butan-2-yl]-N,4-dimethylpent-4-enamide.
What is the SMILES notation for N-[1-(dimethylamino)butan-2-yl]-N,4-dimethylpent-4-enamide?
The canonical SMILES for N-[1-(dimethylamino)butan-2-yl]-N,4-dimethylpent-4-enamide is C=C(C)CCC(=O)N(C)C(CC)CN(C)C.
What is the InChIKey of N-[1-(dimethylamino)butan-2-yl]-N,4-dimethylpent-4-enamide?
The InChIKey is QJZYSXKVCVYRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-7-12(10-14(4)5)15(6)13(16)9-8-11(2)3/h12H,2,7-10H2,1,3-6H3.
What are the key properties of N-[1-(dimethylamino)butan-2-yl]-N,4-dimethylpent-4-enamide?
N-[1-(dimethylamino)butan-2-yl]-N,4-dimethylpent-4-enamide has a molecular weight of 226.36 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)butan-2-yl]-N,4-dimethylpent-4-enamide is sourced from PubChem (CID 130219577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).