N-[5-(methylideneamino)hexa-2,4-dien-2-yl]methanimine

C8H12N2 — CID 123420674

IUPACN-[5-(methylideneamino)hexa-2,4-dien-2-yl]methanimine
SMILESC=NC(C)=CC=C(C)N=C
InChIInChI=1S/C8H12N2/c1-7(9-3)5-6-8(2)10-4/h5-6H,3-4H2,1-2H3
InChIKeyQAOPCTFPHKDMBZ-UHFFFAOYSA-N
MW136.20 g/mol
LogP2.20
Rot. Bonds3

About N-[5-(methylideneamino)hexa-2,4-dien-2-yl]methanimine

N-[5-(methylideneamino)hexa-2,4-dien-2-yl]methanimine (PubChem CID 123420674) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-[5-(methylideneamino)hexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[5-(methylideneamino)hexa-2,4-dien-2-yl]methanimine
PubChem CID123420674
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-[5-(methylideneamino)hexa-2,4-dien-2-yl]methanimine
SMILESC=NC(C)=CC=C(C)N=C
InChIInChI=1S/C8H12N2/c1-7(9-3)5-6-8(2)10-4/h5-6H,3-4H2,1-2H3
InChIKeyQAOPCTFPHKDMBZ-UHFFFAOYSA-N
XLogP2.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-6-fluorohexa-2,4-dien-2-yl]methanimine
CID 154674774
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-penta-1,3-dien-2-ylmethanimine
CID 86063273
1-(dimethyl-lambda3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine
CID 88560391
(2Z,4Z)-5-(methylideneamino)hexa-2,4-dien-2-amine
CID 88901116
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(methylideneamino)hexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[5-(methylideneamino)hexa-2,4-dien-2-yl]methanimine (CID 123420674) is N-[5-(methylideneamino)hexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[5-(methylideneamino)hexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[5-(methylideneamino)hexa-2,4-dien-2-yl]methanimine is C=NC(C)=CC=C(C)N=C.
What is the InChIKey of N-[5-(methylideneamino)hexa-2,4-dien-2-yl]methanimine?
The InChIKey is QAOPCTFPHKDMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7(9-3)5-6-8(2)10-4/h5-6H,3-4H2,1-2H3.
What are the key properties of N-[5-(methylideneamino)hexa-2,4-dien-2-yl]methanimine?
N-[5-(methylideneamino)hexa-2,4-dien-2-yl]methanimine has a molecular weight of 136.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methylideneamino)hexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 123420674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).