N-(4-methylpenta-2,4-dien-2-yl)methanimine

C7H11N — CID 123428702

IUPACN-(4-methylpenta-2,4-dien-2-yl)methanimine
SMILESC=NC(C)=CC(=C)C
InChIInChI=1S/C7H11N/c1-6(2)5-7(3)8-4/h5H,1,4H2,2-3H3
InChIKeyPXYPVWXJNXKVME-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds2

About N-(4-methylpenta-2,4-dien-2-yl)methanimine

N-(4-methylpenta-2,4-dien-2-yl)methanimine (PubChem CID 123428702) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-(4-methylpenta-2,4-dien-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-methylpenta-2,4-dien-2-yl)methanimine
PubChem CID123428702
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-(4-methylpenta-2,4-dien-2-yl)methanimine
SMILESC=NC(C)=CC(=C)C
InChIInChI=1S/C7H11N/c1-6(2)5-7(3)8-4/h5H,1,4H2,2-3H3
InChIKeyPXYPVWXJNXKVME-UHFFFAOYSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.17
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

N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 123476058
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
CID 135128525
N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
CID 137467845
N-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine
CID 143599195
N-[(3E,5E)-4-[(E)-2-fluoroethenyl]hepta-1,3,5-trien-3-yl]methanimine
CID 144360493
ethane;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine
CID 144514660
N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine
CID 144514661

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpenta-2,4-dien-2-yl)methanimine?
The IUPAC name of N-(4-methylpenta-2,4-dien-2-yl)methanimine (CID 123428702) is N-(4-methylpenta-2,4-dien-2-yl)methanimine.
What is the SMILES notation for N-(4-methylpenta-2,4-dien-2-yl)methanimine?
The canonical SMILES for N-(4-methylpenta-2,4-dien-2-yl)methanimine is C=NC(C)=CC(=C)C.
What is the InChIKey of N-(4-methylpenta-2,4-dien-2-yl)methanimine?
The InChIKey is PXYPVWXJNXKVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6(2)5-7(3)8-4/h5H,1,4H2,2-3H3.
What are the key properties of N-(4-methylpenta-2,4-dien-2-yl)methanimine?
N-(4-methylpenta-2,4-dien-2-yl)methanimine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpenta-2,4-dien-2-yl)methanimine is sourced from PubChem (CID 123428702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).