N-(4-methylpenta-1,2,4-trienyl)methanimine

C7H9N — CID 143707484

IUPACN-(4-methylpenta-1,2,4-trienyl)methanimine
SMILESC=NC=C=CC(=C)C
InChIInChI=1S/C7H9N/c1-7(2)5-4-6-8-3/h5-6H,1,3H2,2H3
InChIKeyJJMDCOSKXJDJNY-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.93
Rot. Bonds2

About N-(4-methylpenta-1,2,4-trienyl)methanimine

N-(4-methylpenta-1,2,4-trienyl)methanimine (PubChem CID 143707484) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is N-(4-methylpenta-1,2,4-trienyl)methanimine.

Molecular Properties

Compound NameN-(4-methylpenta-1,2,4-trienyl)methanimine
PubChem CID143707484
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC NameN-(4-methylpenta-1,2,4-trienyl)methanimine
SMILESC=NC=C=CC(=C)C
InChIInChI=1S/C7H9N/c1-7(2)5-4-6-8-3/h5-6H,1,3H2,2H3
InChIKeyJJMDCOSKXJDJNY-UHFFFAOYSA-N
XLogP1.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.93
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'}

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Related Compounds

6-chloro-2-methylhexa-1,3,4-triene
CID 55301873
3-methylbuta-1,3-diene-1-thione
CID 14644483
2,6-dimethylocta-1,3,4-triene
CID 123341951
N-[(4Z)-3-fluoro-4-methylhexa-1,2,4-trienyl]methanimine
CID 143599395
4-methyl-1-(4-methylpent-4-en-2-ynylsulfonyl)penta-1,2,4-triene
CID 11601004
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
2-methylprop-2-enethial
CID 54224376
2-methyl(113C)prop-2-enal
CID 71749931
N-(2-methylprop-2-enyl)methanimine;hydrochloride
CID 175317969
2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 89323000

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpenta-1,2,4-trienyl)methanimine?
The IUPAC name of N-(4-methylpenta-1,2,4-trienyl)methanimine (CID 143707484) is N-(4-methylpenta-1,2,4-trienyl)methanimine.
What is the SMILES notation for N-(4-methylpenta-1,2,4-trienyl)methanimine?
The canonical SMILES for N-(4-methylpenta-1,2,4-trienyl)methanimine is C=NC=C=CC(=C)C.
What is the InChIKey of N-(4-methylpenta-1,2,4-trienyl)methanimine?
The InChIKey is JJMDCOSKXJDJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-7(2)5-4-6-8-3/h5-6H,1,3H2,2H3.
What are the key properties of N-(4-methylpenta-1,2,4-trienyl)methanimine?
N-(4-methylpenta-1,2,4-trienyl)methanimine has a molecular weight of 107.16 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpenta-1,2,4-trienyl)methanimine is sourced from PubChem (CID 143707484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).