N-hexa-2,4-dien-2-ylmethanimine

C7H11N — CID 123156262

IUPACN-hexa-2,4-dien-2-ylmethanimine
SMILESC=NC(C)=CC=CC
InChIInChI=1S/C7H11N/c1-4-5-6-7(2)8-3/h4-6H,3H2,1-2H3
InChIKeyRXXZQJPWEDMCNB-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds2

About N-hexa-2,4-dien-2-ylmethanimine

N-hexa-2,4-dien-2-ylmethanimine (PubChem CID 123156262) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-hexa-2,4-dien-2-ylmethanimine.

Molecular Properties

Compound NameN-hexa-2,4-dien-2-ylmethanimine
PubChem CID123156262
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-hexa-2,4-dien-2-ylmethanimine
SMILESC=NC(C)=CC=CC
InChIInChI=1S/C7H11N/c1-4-5-6-7(2)8-3/h4-6H,3H2,1-2H3
InChIKeyRXXZQJPWEDMCNB-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-[(2Z,4Z)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimine
CID 143435074
N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine
CID 143800417
N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimine
CID 144022164
N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine
CID 144753304
N-[(2Z,4Z)-6-fluorohexa-2,4-dien-2-yl]methanimine
CID 154674774
N-[(2E,4Z)-3-fluorohexa-2,4-dien-2-yl]methanimine
CID 155095809
N-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]methanimine
CID 156158427
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-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine
CID 176684240
N-but-2-en-2-ylmethanimine
CID 20732295
N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidate
CID 57605314

Frequently Asked Questions

What is the IUPAC name of N-hexa-2,4-dien-2-ylmethanimine?
The IUPAC name of N-hexa-2,4-dien-2-ylmethanimine (CID 123156262) is N-hexa-2,4-dien-2-ylmethanimine.
What is the SMILES notation for N-hexa-2,4-dien-2-ylmethanimine?
The canonical SMILES for N-hexa-2,4-dien-2-ylmethanimine is C=NC(C)=CC=CC.
What is the InChIKey of N-hexa-2,4-dien-2-ylmethanimine?
The InChIKey is RXXZQJPWEDMCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-4-5-6-7(2)8-3/h4-6H,3H2,1-2H3.
What are the key properties of N-hexa-2,4-dien-2-ylmethanimine?
N-hexa-2,4-dien-2-ylmethanimine 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-hexa-2,4-dien-2-ylmethanimine is sourced from PubChem (CID 123156262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).