N-methyl-N-[2-(methylamino)prop-2-enyl]butanamide

C9H18N2O — CID 90398268

IUPACN-methyl-N-[2-(methylamino)prop-2-enyl]butanamide
SMILESC=C(CN(C)C(=O)CCC)NC
InChIInChI=1S/C9H18N2O/c1-5-6-9(12)11(4)7-8(2)10-3/h10H,2,5-7H2,1,3-4H3
InChIKeyVXIMEYZGENYZHM-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.98
Rot. Bonds5

About N-methyl-N-[2-(methylamino)prop-2-enyl]butanamide

N-methyl-N-[2-(methylamino)prop-2-enyl]butanamide (PubChem CID 90398268) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)prop-2-enyl]butanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)prop-2-enyl]butanamide
PubChem CID90398268
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-methyl-N-[2-(methylamino)prop-2-enyl]butanamide
SMILESC=C(CN(C)C(=O)CCC)NC
InChIInChI=1S/C9H18N2O/c1-5-6-9(12)11(4)7-8(2)10-3/h10H,2,5-7H2,1,3-4H3
InChIKeyVXIMEYZGENYZHM-UHFFFAOYSA-N
XLogP0.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-[2-(methylamino)prop-2-enyl]butanamide 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-methyl-N-[2-(methylamino)prop-2-enyl]butanamide?
The IUPAC name of N-methyl-N-[2-(methylamino)prop-2-enyl]butanamide (CID 90398268) is N-methyl-N-[2-(methylamino)prop-2-enyl]butanamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)prop-2-enyl]butanamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)prop-2-enyl]butanamide is C=C(CN(C)C(=O)CCC)NC.
What is the InChIKey of N-methyl-N-[2-(methylamino)prop-2-enyl]butanamide?
The InChIKey is VXIMEYZGENYZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-6-9(12)11(4)7-8(2)10-3/h10H,2,5-7H2,1,3-4H3.
What are the key properties of N-methyl-N-[2-(methylamino)prop-2-enyl]butanamide?
N-methyl-N-[2-(methylamino)prop-2-enyl]butanamide has a molecular weight of 170.26 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)prop-2-enyl]butanamide is sourced from PubChem (CID 90398268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).