N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine

C9H16N2 — CID 167248501

IUPACN-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine
SMILESC=N/C(=C\N=C(C)C)C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)9(10-5)6-11-8(3)4/h6-7H,5H2,1-4H3/b9-6-
InChIKeyFZYXUSZEJAXVGO-TWGQIWQCSA-N
MW152.24 g/mol
LogP2.67
Rot. Bonds3

About N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine

N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine (PubChem CID 167248501) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine.

Molecular Properties

Compound NameN-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine
PubChem CID167248501
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine
SMILESC=N/C(=C\N=C(C)C)C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)9(10-5)6-11-8(3)4/h6-7H,5H2,1-4H3/b9-6-
InChIKeyFZYXUSZEJAXVGO-TWGQIWQCSA-N
XLogP2.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine 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-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]propan-2-imine
CID 91546308
3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine
CID 129168703
(Z)-3-methyl-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine
CID 170201437
3-[(E)-2-fluoro-2-(methylideneamino)ethenyl]iminobutan-2-amine
CID 166870981
N-[(1E)-3-methyl-2-(2-methylpropoxy)buta-1,3-dienyl]propan-2-imine
CID 123611771
trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium
CID 170257532
N-[(Z)-2-methylsulfanylprop-1-enyl]propan-2-imine
CID 89307973
(Z)-4-[(Z)-4-methylpent-2-en-3-yl]iminopent-2-en-2-amine
CID 130331601
methanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine
CID 142914051
N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine
CID 170144613
(3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine
CID 145477828
N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine
CID 174337124

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine?
The IUPAC name of N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine (CID 167248501) is N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine.
What is the SMILES notation for N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine?
The canonical SMILES for N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine is C=N/C(=C\N=C(C)C)C(C)C.
What is the InChIKey of N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine?
The InChIKey is FZYXUSZEJAXVGO-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)9(10-5)6-11-8(3)4/h6-7H,5H2,1-4H3/b9-6-.
What are the key properties of N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine?
N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine has a molecular weight of 152.24 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine is sourced from PubChem (CID 167248501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).