1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine

C9H16N2 — CID 167202036

IUPAC1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine
SMILESC=C(C)/N=C(/C=N/C)C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)9(6-10-5)11-8(3)4/h6-7H,3H2,1-2,4-5H3/b10-6+,11-9-
InChIKeyFDLYSKWHBSABTK-QCOLZXCRSA-N
MW152.24 g/mol
LogP2.32
Rot. Bonds3

About 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine

1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine (PubChem CID 167202036) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine.

Molecular Properties

Compound Name1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine
PubChem CID167202036
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine
SMILESC=C(C)/N=C(/C=N/C)C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)9(6-10-5)11-8(3)4/h6-7H,3H2,1-2,4-5H3/b10-6+,11-9-
InChIKeyFDLYSKWHBSABTK-QCOLZXCRSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-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

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine?
The IUPAC name of 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine (CID 167202036) is 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine.
What is the SMILES notation for 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine?
The canonical SMILES for 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine is C=C(C)/N=C(/C=N/C)C(C)C.
What is the InChIKey of 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine?
The InChIKey is FDLYSKWHBSABTK-QCOLZXCRSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)9(6-10-5)11-8(3)4/h6-7H,3H2,1-2,4-5H3/b10-6+,11-9-.
What are the key properties of 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine?
1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine is sourced from PubChem (CID 167202036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).