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

C8H14N2 — CID 126635837

IUPAC1-N-[(Z)-3-methylbut-1-enyl]propane-1,2-diimine
SMILES[H]/N=C(C)/C=N/C=C\C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)4-5-10-6-8(3)9/h4-7,9H,1-3H3/b5-4-,9-8+,10-6+
InChIKeyATKCBBFEGDOGON-OCWDPKPYSA-N
MW138.21 g/mol
LogP2.27
Rot. Bonds3

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

1-N-[(Z)-3-methylbut-1-enyl]propane-1,2-diimine (PubChem CID 126635837) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-N-[(Z)-3-methylbut-1-enyl]propane-1,2-diimine.

Molecular Properties

Compound Name1-N-[(Z)-3-methylbut-1-enyl]propane-1,2-diimine
PubChem CID126635837
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-N-[(Z)-3-methylbut-1-enyl]propane-1,2-diimine
SMILES[H]/N=C(C)/C=N/C=C\C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)4-5-10-6-8(3)9/h4-7,9H,1-3H3/b5-4-,9-8+,10-6+
InChIKeyATKCBBFEGDOGON-OCWDPKPYSA-N
XLogP2.27
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

2-methyl-N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 22086823
2-methyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
CID 59967158
2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 88539325
(Z)-3-methyl-1-(prop-2-enylideneamino)but-1-en-2-amine
CID 89145511
3-methyl-2-N-[(Z)-prop-1-enyl]butane-1,2-diimine
CID 89213557
(Z)-3-(3-methylbut-1-en-2-ylimino)prop-1-en-1-amine
CID 89410300
N-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine
CID 89423962
N'-[(Z)-but-1-enyl]ethane-1,2-diimine
CID 89425018
N'-[(Z)-3-methylbut-1-enyl]ethane-1,2-diimine
CID 89425047
N-[(Z)-3-iminoprop-1-enyl]pentan-2-imine
CID 89698301
(Z)-4-N-ethylidenebut-3-ene-2,4-diimine
CID 90382157
1-N-ethenyl-3-methyl-2-N-[(Z)-prop-1-enyl]but-3-ene-1,2-diimine
CID 117758407

Frequently Asked Questions

What is the IUPAC name of 1-N-[(Z)-3-methylbut-1-enyl]propane-1,2-diimine?
The IUPAC name of 1-N-[(Z)-3-methylbut-1-enyl]propane-1,2-diimine (CID 126635837) is 1-N-[(Z)-3-methylbut-1-enyl]propane-1,2-diimine.
What is the SMILES notation for 1-N-[(Z)-3-methylbut-1-enyl]propane-1,2-diimine?
The canonical SMILES for 1-N-[(Z)-3-methylbut-1-enyl]propane-1,2-diimine is [H]/N=C(C)/C=N/C=C\C(C)C.
What is the InChIKey of 1-N-[(Z)-3-methylbut-1-enyl]propane-1,2-diimine?
The InChIKey is ATKCBBFEGDOGON-OCWDPKPYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)4-5-10-6-8(3)9/h4-7,9H,1-3H3/b5-4-,9-8+,10-6+.
What are the key properties of 1-N-[(Z)-3-methylbut-1-enyl]propane-1,2-diimine?
1-N-[(Z)-3-methylbut-1-enyl]propane-1,2-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(Z)-3-methylbut-1-enyl]propane-1,2-diimine is sourced from PubChem (CID 126635837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).