N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine

C8H13N — CID 144544203

IUPACN-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine
SMILESC=CC(C)(C)/C=C\N=C
InChIInChI=1S/C8H13N/c1-5-8(2,3)6-7-9-4/h5-7H,1,4H2,2-3H3/b7-6-
InChIKeyNCZUQZOKGOLWMB-SREVYHEPSA-N
MW123.20 g/mol
LogP2.41
Rot. Bonds3

About N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine

N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine (PubChem CID 144544203) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine
PubChem CID144544203
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine
SMILESC=CC(C)(C)/C=C\N=C
InChIInChI=1S/C8H13N/c1-5-8(2,3)6-7-9-4/h5-7H,1,4H2,2-3H3/b7-6-
InChIKeyNCZUQZOKGOLWMB-SREVYHEPSA-N
XLogP2.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine 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-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine?
The IUPAC name of N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine (CID 144544203) is N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine is C=CC(C)(C)/C=C\N=C.
What is the InChIKey of N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine?
The InChIKey is NCZUQZOKGOLWMB-SREVYHEPSA-N. The full InChI is InChI=1S/C8H13N/c1-5-8(2,3)6-7-9-4/h5-7H,1,4H2,2-3H3/b7-6-.
What are the key properties of N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine?
N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine has a molecular weight of 123.20 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine is sourced from PubChem (CID 144544203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).