N-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine

C11H19N — CID 123531864

IUPACN-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine
SMILESC=NC=C(C=CC)CC(C)(C)C
InChIInChI=1S/C11H19N/c1-6-7-10(9-12-5)8-11(2,3)4/h6-7,9H,5,8H2,1-4H3
InChIKeyUBYLPWNJBXBMJJ-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds3

About N-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine

N-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine (PubChem CID 123531864) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine
PubChem CID123531864
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine
SMILESC=NC=C(C=CC)CC(C)(C)C
InChIInChI=1S/C11H19N/c1-6-7-10(9-12-5)8-11(2,3)4/h6-7,9H,5,8H2,1-4H3
InChIKeyUBYLPWNJBXBMJJ-UHFFFAOYSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(2,2-dimethylpropyl)penta-1,3-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

Related Compounds

N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine
CID 129106496
N-[(1Z,3Z)-3-tert-butyl-4-fluoropenta-1,3-dienyl]methanimine
CID 129156639
N-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine
CID 167004090
N-[(1E,3Z)-3-tert-butyl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
CID 167038805
N-[(1E)-2-(1,1-difluoro-2,2-dimethylpropyl)-4-methylpenta-1,3-dienyl]methanimine
CID 169653851
N-[(1Z,3Z)-6-fluoro-2,6-dimethylhepta-1,3-dienyl]methanimine
CID 143707407
N-[(1Z,4E,6E)-2-ethenyl-7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl]methanimine
CID 170568622
5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055184
5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055247
5,5-dimethylcyclohexa-1,3-diene;N-ethylmethanimine
CID 70506921
N-[(1E,3Z)-2-tert-butylpenta-1,3-dienyl]methanimine
CID 88536085
N-[(Z)-2-(5-ethyl-2,5-dimethylcyclohexen-1-yl)ethenyl]methanimine
CID 88997204

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine (CID 123531864) is N-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine is C=NC=C(C=CC)CC(C)(C)C.
What is the InChIKey of N-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine?
The InChIKey is UBYLPWNJBXBMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-6-7-10(9-12-5)8-11(2,3)4/h6-7,9H,5,8H2,1-4H3.
What are the key properties of N-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine?
N-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 123531864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).