(4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine

C16H24N2 — CID 155058757

IUPAC(4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine
SMILES[H]/N=C/C(=C)CC(/N=C(\C)CC)=C(C)/C(C)=C/C=C
InChIInChI=1S/C16H24N2/c1-7-9-13(4)15(6)16(10-12(3)11-17)18-14(5)8-2/h7,9,11,17H,1,3,8,10H2,2,4-6H3/b13-9+,16-15-,17-11+,18-14+
InChIKeyGNCLKOIRJGSHRX-QNARZYCVSA-N
MW244.38 g/mol
LogP4.86
Rot. Bonds7

About (4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine

(4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine (PubChem CID 155058757) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine.

Molecular Properties

Compound Name(4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine
PubChem CID155058757
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine
SMILES[H]/N=C/C(=C)CC(/N=C(\C)CC)=C(C)/C(C)=C/C=C
InChIInChI=1S/C16H24N2/c1-7-9-13(4)15(6)16(10-12(3)11-17)18-14(5)8-2/h7,9,11,17H,1,3,8,10H2,2,4-6H3/b13-9+,16-15-,17-11+,18-14+
InChIKeyGNCLKOIRJGSHRX-QNARZYCVSA-N
XLogP4.86
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine with MolForge

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Related Compounds

(4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine
CID 166837090
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CID 163913850
(E)-3-bromo-2-methylpent-2-en-1-imine
CID 156729076
1-butan-2-ylideneguanidine
CID 161053722
(3E,5E)-8-imino-5,6-dimethyl-7-oxoocta-1,3,5-triene-4-sulfonamide
CID 155228072
methanimine;2-methylprop-2-en-1-imine
CID 145055297
(3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol
CID 142201906
(3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine
CID 166800420
(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
CID 156821319
(3Z)-3-methyl-2-methylsulfanylhexa-1,3,5-triene
CID 177208202
(3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine
CID 144786516
methyl N-[(E)-butan-2-ylideneamino]carbamimidothioate
CID 176532183

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine?
The IUPAC name of (4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine (CID 155058757) is (4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine.
What is the SMILES notation for (4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine?
The canonical SMILES for (4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine is [H]/N=C/C(=C)CC(/N=C(\C)CC)=C(C)/C(C)=C/C=C.
What is the InChIKey of (4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine?
The InChIKey is GNCLKOIRJGSHRX-QNARZYCVSA-N. The full InChI is InChI=1S/C16H24N2/c1-7-9-13(4)15(6)16(10-12(3)11-17)18-14(5)8-2/h7,9,11,17H,1,3,8,10H2,2,4-6H3/b13-9+,16-15-,17-11+,18-14+.
What are the key properties of (4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine?
(4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine has a molecular weight of 244.38 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine is sourced from PubChem (CID 155058757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).