2-methyl-N'-[(Z)-3-methylbut-1-enyl]propane-1,3-diimine

C9H16N2 — CID 142838779

IUPAC2-methyl-N'-[(Z)-3-methylbut-1-enyl]propane-1,3-diimine
SMILES[H]/N=C/C(C)/C=N/C=C\C(C)C
InChIInChI=1S/C9H16N2/c1-8(2)4-5-11-7-9(3)6-10/h4-10H,1-3H3/b5-4-,10-6+,11-7+
InChIKeyHOWIGBAQKJXIOC-CVZSDRFFSA-N
MW152.24 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-N'-[(Z)-3-methylbut-1-enyl]propane-1,3-diimine

2-methyl-N'-[(Z)-3-methylbut-1-enyl]propane-1,3-diimine (PubChem CID 142838779) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-N'-[(Z)-3-methylbut-1-enyl]propane-1,3-diimine.

Molecular Properties

Compound Name2-methyl-N'-[(Z)-3-methylbut-1-enyl]propane-1,3-diimine
PubChem CID142838779
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-methyl-N'-[(Z)-3-methylbut-1-enyl]propane-1,3-diimine
SMILES[H]/N=C/C(C)/C=N/C=C\C(C)C
InChIInChI=1S/C9H16N2/c1-8(2)4-5-11-7-9(3)6-10/h4-10H,1-3H3/b5-4-,10-6+,11-7+
InChIKeyHOWIGBAQKJXIOC-CVZSDRFFSA-N
XLogP2.51
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N'-[(Z)-3-methylbut-1-enyl]propane-1,3-diimine 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 2-methyl-N'-[(Z)-3-methylbut-1-enyl]propane-1,3-diimine?
The IUPAC name of 2-methyl-N'-[(Z)-3-methylbut-1-enyl]propane-1,3-diimine (CID 142838779) is 2-methyl-N'-[(Z)-3-methylbut-1-enyl]propane-1,3-diimine.
What is the SMILES notation for 2-methyl-N'-[(Z)-3-methylbut-1-enyl]propane-1,3-diimine?
The canonical SMILES for 2-methyl-N'-[(Z)-3-methylbut-1-enyl]propane-1,3-diimine is [H]/N=C/C(C)/C=N/C=C\C(C)C.
What is the InChIKey of 2-methyl-N'-[(Z)-3-methylbut-1-enyl]propane-1,3-diimine?
The InChIKey is HOWIGBAQKJXIOC-CVZSDRFFSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)4-5-11-7-9(3)6-10/h4-10H,1-3H3/b5-4-,10-6+,11-7+.
What are the key properties of 2-methyl-N'-[(Z)-3-methylbut-1-enyl]propane-1,3-diimine?
2-methyl-N'-[(Z)-3-methylbut-1-enyl]propane-1,3-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(Z)-3-methylbut-1-enyl]propane-1,3-diimine is sourced from PubChem (CID 142838779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).