(4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine

C16H24N2 — CID 123885176

IUPAC(4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine
SMILESC=C/C=C(C)/C=C(N=C(C)C)\C(=N\CC)C(=C)C
InChIInChI=1S/C16H24N2/c1-8-10-14(7)11-15(18-13(5)6)16(12(3)4)17-9-2/h8,10-11H,1,3,9H2,2,4-7H3/b14-10+,15-11+,17-16+
InChIKeyFFPGBDJQHUJJJM-TVEUDMMXSA-N
MW244.38 g/mol
LogP4.52
Rot. Bonds6

About (4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine

(4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine (PubChem CID 123885176) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine.

Molecular Properties

Compound Name(4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine
PubChem CID123885176
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine
SMILESC=C/C=C(C)/C=C(N=C(C)C)\C(=N\CC)C(=C)C
InChIInChI=1S/C16H24N2/c1-8-10-14(7)11-15(18-13(5)6)16(12(3)4)17-9-2/h8,10-11H,1,3,9H2,2,4-7H3/b14-10+,15-11+,17-16+
InChIKeyFFPGBDJQHUJJJM-TVEUDMMXSA-N
XLogP4.52
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.52
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'}

Analyze (4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine with MolForge

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Launch Full Analysis

Related Compounds

(3E)-3-fluoro-4-[[(5Z)-6-methyl-3-methylidene-4-propan-2-ylideneocta-5,7-dien-2-ylidene]amino]buta-1,3-dien-2-amine
CID 130336733
(3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine
CID 134448737
(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine
CID 145128279
1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine
CID 153383099
2-N-prop-1-en-2-yl-1-N-propylcyclohexa-3,5-diene-1,2-diimine
CID 68004177
6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine
CID 89028721
(3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine
CID 89033543
(2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine
CID 89159404
(4Z)-N-methyl-3-propan-2-ylidenehepta-4,6-dien-2-imine
CID 89376422
(2Z,5Z,7Z)-10-methyl-9-methylidene-4H-azecine
CID 89861396
N-(3-ethyl-7-hexyl-2H-azepin-5-yl)but-3-en-2-imine
CID 90804107
(Z)-1-N-ethyl-3-methyl-2-N-[(1E)-2-methylcycloocta-1,3,7-trien-1-yl]pent-3-ene-1,2-diimine
CID 90829351

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine?
The IUPAC name of (4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine (CID 123885176) is (4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine.
What is the SMILES notation for (4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine?
The canonical SMILES for (4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine is C=C/C=C(C)/C=C(N=C(C)C)\C(=N\CC)C(=C)C.
What is the InChIKey of (4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine?
The InChIKey is FFPGBDJQHUJJJM-TVEUDMMXSA-N. The full InChI is InChI=1S/C16H24N2/c1-8-10-14(7)11-15(18-13(5)6)16(12(3)4)17-9-2/h8,10-11H,1,3,9H2,2,4-7H3/b14-10+,15-11+,17-16+.
What are the key properties of (4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine?
(4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine has a molecular weight of 244.38 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine is sourced from PubChem (CID 123885176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).