N-hexa-1,3,5-trien-2-ylmethanimine

C7H9N — CID 90786608

IUPACN-hexa-1,3,5-trien-2-ylmethanimine
SMILESC=CC=CC(=C)N=C
InChIInChI=1S/C7H9N/c1-4-5-6-7(2)8-3/h4-6H,1-3H2
InChIKeyQMXMYSPJZWNUQN-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.94
Rot. Bonds3

About N-hexa-1,3,5-trien-2-ylmethanimine

N-hexa-1,3,5-trien-2-ylmethanimine (PubChem CID 90786608) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is N-hexa-1,3,5-trien-2-ylmethanimine.

Molecular Properties

Compound NameN-hexa-1,3,5-trien-2-ylmethanimine
PubChem CID90786608
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC NameN-hexa-1,3,5-trien-2-ylmethanimine
SMILESC=CC=CC(=C)N=C
InChIInChI=1S/C7H9N/c1-4-5-6-7(2)8-3/h4-6H,1-3H2
InChIKeyQMXMYSPJZWNUQN-UHFFFAOYSA-N
XLogP1.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.94
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-phenylmethanimine;yttrium
CID 59968996
Cobalt-benzimidazole
CID 129694742
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-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine
CID 176684240
N-phenylmethanimine;tungsten(2+)
CID 22943681
N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidate
CID 57605314
potassium N-phenylmethanimine
CID 59945797
N-penta-1,3-dien-2-ylmethanimine
CID 86063273
1-(dimethyl-lambda3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine
CID 88560391
N-[(3Z)-penta-1,3-dien-2-yl]ethanimine
CID 88948676
N-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimine
CID 88986031

Frequently Asked Questions

What is the IUPAC name of N-hexa-1,3,5-trien-2-ylmethanimine?
The IUPAC name of N-hexa-1,3,5-trien-2-ylmethanimine (CID 90786608) is N-hexa-1,3,5-trien-2-ylmethanimine.
What is the SMILES notation for N-hexa-1,3,5-trien-2-ylmethanimine?
The canonical SMILES for N-hexa-1,3,5-trien-2-ylmethanimine is C=CC=CC(=C)N=C.
What is the InChIKey of N-hexa-1,3,5-trien-2-ylmethanimine?
The InChIKey is QMXMYSPJZWNUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-4-5-6-7(2)8-3/h4-6H,1-3H2.
What are the key properties of N-hexa-1,3,5-trien-2-ylmethanimine?
N-hexa-1,3,5-trien-2-ylmethanimine has a molecular weight of 107.16 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-1,3,5-trien-2-ylmethanimine is sourced from PubChem (CID 90786608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).