N-(5-methylhexa-2,4-dien-2-yl)methanimine

C8H13N — CID 123489897

IUPACN-(5-methylhexa-2,4-dien-2-yl)methanimine
SMILESC=NC(C)=CC=C(C)C
InChIInChI=1S/C8H13N/c1-7(2)5-6-8(3)9-4/h5-6H,4H2,1-3H3
InChIKeyLIGBAASAANIFNB-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.56
Rot. Bonds2

About N-(5-methylhexa-2,4-dien-2-yl)methanimine

N-(5-methylhexa-2,4-dien-2-yl)methanimine (PubChem CID 123489897) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-(5-methylhexa-2,4-dien-2-yl)methanimine.

Molecular Properties

Compound NameN-(5-methylhexa-2,4-dien-2-yl)methanimine
PubChem CID123489897
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-(5-methylhexa-2,4-dien-2-yl)methanimine
SMILESC=NC(C)=CC=C(C)C
InChIInChI=1S/C8H13N/c1-7(2)5-6-8(3)9-4/h5-6H,4H2,1-3H3
InChIKeyLIGBAASAANIFNB-UHFFFAOYSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.56
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-[(2Z)-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 143072468
N-[(2Z,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 146505995
N-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]methanimine
CID 156158427
N-[(1E)-1-fluoro-4-methylpenta-1,3-dienyl]methanimine
CID 156158691
N-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine
CID 163633243
N-[(2Z,4E)-4-fluorohexa-2,4-dien-2-yl]methanimine
CID 164071677
N-[(2Z)-4-fluoropenta-2,4-dien-2-yl]methanimine
CID 162760953
N-penta-1,3-dien-2-ylmethanimine
CID 86063273
N-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimine
CID 88986031
N-[(2Z)-5-methylhexa-2,4-dien-2-yl]methanimine
CID 89899366
N-penta-2,4-dien-2-ylmethanimine
CID 91009510
Hexa-2,4-dien-2-yl-methyl-methylideneazanium
CID 91469582

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexa-2,4-dien-2-yl)methanimine?
The IUPAC name of N-(5-methylhexa-2,4-dien-2-yl)methanimine (CID 123489897) is N-(5-methylhexa-2,4-dien-2-yl)methanimine.
What is the SMILES notation for N-(5-methylhexa-2,4-dien-2-yl)methanimine?
The canonical SMILES for N-(5-methylhexa-2,4-dien-2-yl)methanimine is C=NC(C)=CC=C(C)C.
What is the InChIKey of N-(5-methylhexa-2,4-dien-2-yl)methanimine?
The InChIKey is LIGBAASAANIFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)5-6-8(3)9-4/h5-6H,4H2,1-3H3.
What are the key properties of N-(5-methylhexa-2,4-dien-2-yl)methanimine?
N-(5-methylhexa-2,4-dien-2-yl)methanimine has a molecular weight of 123.20 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexa-2,4-dien-2-yl)methanimine is sourced from PubChem (CID 123489897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).