3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[1-(1-methylcyclopropyl)ethyl]but-2-enamide

C19H31N3O — CID 138665800

IUPAC3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[1-(1-methylcyclopropyl)ethyl]but-2-enamide
SMILESC=N/C(NC1(C)CC1)=C(\C)C(C(=O)NC(C)C1(C)CC1)=C(C)C
InChIInChI=1S/C19H31N3O/c1-12(2)15(17(23)21-14(4)18(5)8-9-18)13(3)16(20-7)22-19(6)10-11-19/h14,22H,7-11H2,1-6H3,(H,21,23)/b16-13-
InChIKeyMHZXJIPLNWYVFH-SSZFMOIBSA-N
MW317.48 g/mol
LogP3.70
Rot. Bonds7

About 3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[1-(1-methylcyclopropyl)ethyl]but-2-enamide

3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[1-(1-methylcyclopropyl)ethyl]but-2-enamide (PubChem CID 138665800) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[1-(1-methylcyclopropyl)ethyl]but-2-enamide.

Molecular Properties

Compound Name3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[1-(1-methylcyclopropyl)ethyl]but-2-enamide
PubChem CID138665800
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[1-(1-methylcyclopropyl)ethyl]but-2-enamide
SMILESC=N/C(NC1(C)CC1)=C(\C)C(C(=O)NC(C)C1(C)CC1)=C(C)C
InChIInChI=1S/C19H31N3O/c1-12(2)15(17(23)21-14(4)18(5)8-9-18)13(3)16(20-7)22-19(6)10-11-19/h14,22H,7-11H2,1-6H3,(H,21,23)/b16-13-
InChIKeyMHZXJIPLNWYVFH-SSZFMOIBSA-N
XLogP3.70
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[1-(1-methylcyclopropyl)ethyl]but-2-enamide 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

N-(3-fluorocyclobutyl)-3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]but-2-enamide
CID 138666024
N-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]but-2-enamide
CID 138666190
N-(1-cyclopropylethyl)-3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]but-2-enamide
CID 138665577
(3E)-N-(1-cyclopropylethyl)-3-[[(1-methylcyclopropyl)amino]-(methylideneamino)methylidene]-2-propan-2-ylidenepentanamide
CID 138665581
N-(1-ethylcyclopropyl)-3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]but-2-enamide
CID 138665731
3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-(1-propan-2-ylcyclopropyl)but-2-enamide
CID 138665737
(3E)-3-[[(1-methylcyclopropyl)amino]-(methylideneamino)methylidene]-N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-ylidenepentanamide
CID 138665801
3-methyl-N-(1-methylcyclopropyl)-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]but-2-enamide
CID 138665989
N-cyclobutyl-3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]but-2-enamide
CID 138666023
3-methyl-N-(3-methylbutan-2-yl)-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]but-2-enamide
CID 138666049
(3E)-N-(cyclopropylmethyl)-3-[[(1-methylcyclopropyl)amino]-(methylideneamino)methylidene]-2-propan-2-ylidenepentanamide
CID 138666168
N-(cyclopropylmethyl)-3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]but-2-enamide
CID 138666169

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[1-(1-methylcyclopropyl)ethyl]but-2-enamide?
The IUPAC name of 3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[1-(1-methylcyclopropyl)ethyl]but-2-enamide (CID 138665800) is 3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[1-(1-methylcyclopropyl)ethyl]but-2-enamide.
What is the SMILES notation for 3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[1-(1-methylcyclopropyl)ethyl]but-2-enamide?
The canonical SMILES for 3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[1-(1-methylcyclopropyl)ethyl]but-2-enamide is C=N/C(NC1(C)CC1)=C(\C)C(C(=O)NC(C)C1(C)CC1)=C(C)C.
What is the InChIKey of 3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[1-(1-methylcyclopropyl)ethyl]but-2-enamide?
The InChIKey is MHZXJIPLNWYVFH-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H31N3O/c1-12(2)15(17(23)21-14(4)18(5)8-9-18)13(3)16(20-7)22-19(6)10-11-19/h14,22H,7-11H2,1-6H3,(H,21,23)/b16-13-.
What are the key properties of 3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[1-(1-methylcyclopropyl)ethyl]but-2-enamide?
3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[1-(1-methylcyclopropyl)ethyl]but-2-enamide has a molecular weight of 317.48 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]-N-[1-(1-methylcyclopropyl)ethyl]but-2-enamide is sourced from PubChem (CID 138665800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).