3-methyl-2-N-[(Z)-prop-1-enyl]butane-1,2-diimine

C8H14N2 — CID 89213557

IUPAC3-methyl-2-N-[(Z)-prop-1-enyl]butane-1,2-diimine
SMILES[H]/N=C/C(=N/C=C\C)C(C)C
InChIInChI=1S/C8H14N2/c1-4-5-10-8(6-9)7(2)3/h4-7,9H,1-3H3/b5-4-,9-6+,10-8-
InChIKeyJNWWGUBMOGJNAZ-WJVTXTRLSA-N
MW138.21 g/mol
LogP2.27
Rot. Bonds3

About 3-methyl-2-N-[(Z)-prop-1-enyl]butane-1,2-diimine

3-methyl-2-N-[(Z)-prop-1-enyl]butane-1,2-diimine (PubChem CID 89213557) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-methyl-2-N-[(Z)-prop-1-enyl]butane-1,2-diimine.

Molecular Properties

Compound Name3-methyl-2-N-[(Z)-prop-1-enyl]butane-1,2-diimine
PubChem CID89213557
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-methyl-2-N-[(Z)-prop-1-enyl]butane-1,2-diimine
SMILES[H]/N=C/C(=N/C=C\C)C(C)C
InChIInChI=1S/C8H14N2/c1-4-5-10-8(6-9)7(2)3/h4-7,9H,1-3H3/b5-4-,9-6+,10-8-
InChIKeyJNWWGUBMOGJNAZ-WJVTXTRLSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-[(Z)-prop-1-enyl]butane-1,2-diimine?
The IUPAC name of 3-methyl-2-N-[(Z)-prop-1-enyl]butane-1,2-diimine (CID 89213557) is 3-methyl-2-N-[(Z)-prop-1-enyl]butane-1,2-diimine.
What is the SMILES notation for 3-methyl-2-N-[(Z)-prop-1-enyl]butane-1,2-diimine?
The canonical SMILES for 3-methyl-2-N-[(Z)-prop-1-enyl]butane-1,2-diimine is [H]/N=C/C(=N/C=C\C)C(C)C.
What is the InChIKey of 3-methyl-2-N-[(Z)-prop-1-enyl]butane-1,2-diimine?
The InChIKey is JNWWGUBMOGJNAZ-WJVTXTRLSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-5-10-8(6-9)7(2)3/h4-7,9H,1-3H3/b5-4-,9-6+,10-8-.
What are the key properties of 3-methyl-2-N-[(Z)-prop-1-enyl]butane-1,2-diimine?
3-methyl-2-N-[(Z)-prop-1-enyl]butane-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 3-methyl-2-N-[(Z)-prop-1-enyl]butane-1,2-diimine is sourced from PubChem (CID 89213557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).