N,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine

C9H16N2 — CID 88972420

IUPACN,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine
SMILESC/C=C\N=C\C(C)(C)/C=N/C
InChIInChI=1S/C9H16N2/c1-5-6-11-8-9(2,3)7-10-4/h5-8H,1-4H3/b6-5-,10-7+,11-8+
InChIKeyCOFQSWLNBMPJKK-HKAXXRRESA-N
MW152.24 g/mol
LogP2.32
Rot. Bonds3

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

N,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine (PubChem CID 88972420) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine.

Molecular Properties

Compound NameN,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine
PubChem CID88972420
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine
SMILESC/C=C\N=C\C(C)(C)/C=N/C
InChIInChI=1S/C9H16N2/c1-5-6-11-8-9(2,3)7-10-4/h5-8H,1-4H3/b6-5-,10-7+,11-8+
InChIKeyCOFQSWLNBMPJKK-HKAXXRRESA-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 N,2,2-trimethyl-N'-[(Z)-prop-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 N,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine?
The IUPAC name of N,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine (CID 88972420) is N,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine.
What is the SMILES notation for N,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine?
The canonical SMILES for N,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine is C/C=C\N=C\C(C)(C)/C=N/C.
What is the InChIKey of N,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine?
The InChIKey is COFQSWLNBMPJKK-HKAXXRRESA-N. The full InChI is InChI=1S/C9H16N2/c1-5-6-11-8-9(2,3)7-10-4/h5-8H,1-4H3/b6-5-,10-7+,11-8+.
What are the key properties of N,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine?
N,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-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 N,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine is sourced from PubChem (CID 88972420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).