(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine

C8H10N2 — CID 91068179

IUPAC(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine
SMILESC=C/C=C\C(=C)/C=N/N=C
InChIInChI=1S/C8H10N2/c1-4-5-6-8(2)7-10-9-3/h4-7H,1-3H2/b6-5-,10-7-
InChIKeySDLSKPGZOHCMES-ICZHLNMZSA-N
MW134.18 g/mol
LogP1.97
Rot. Bonds4

About (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine

(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine (PubChem CID 91068179) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine.

Molecular Properties

Compound Name(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine
PubChem CID91068179
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine
SMILESC=C/C=C\C(=C)/C=N/N=C
InChIInChI=1S/C8H10N2/c1-4-5-6-8(2)7-10-9-3/h4-7H,1-3H2/b6-5-,10-7-
InChIKeySDLSKPGZOHCMES-ICZHLNMZSA-N
XLogP1.97
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-2-methylidenehexa-3,5-dien-1-imine
CID 145448043
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
2-bromohexa-1,3,5-triene
CID 91549125
(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
CID 143096583
sodium (3Z)-hexa-1,3,5-triene-2-thiolate
CID 145184623
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
CID 145268478
6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
trifluoro-[(3Z)-hexa-1,3,5-trien-2-yl]-λ4-sulfane
CID 143945193
(3Z)-hexa-1,3,5-triene-2-thiol;propa-1,2-diene
CID 144863707
hexa-1,3,5-trien-2-yl(trimethyl)azanium
CID 123638146
2-methylsulfanylhexa-1,3,5-triene
CID 123672655

Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine?
The IUPAC name of (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine (CID 91068179) is (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine.
What is the SMILES notation for (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine?
The canonical SMILES for (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine is C=C/C=C\C(=C)/C=N/N=C.
What is the InChIKey of (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine?
The InChIKey is SDLSKPGZOHCMES-ICZHLNMZSA-N. The full InChI is InChI=1S/C8H10N2/c1-4-5-6-8(2)7-10-9-3/h4-7H,1-3H2/b6-5-,10-7-.
What are the key properties of (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine?
(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine has a molecular weight of 134.18 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine is sourced from PubChem (CID 91068179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).