3-methyl-2-methylidene-N-(3-methylidenehepta-1,4,6-trien-2-yl)hepta-3,5-dien-1-imine

C17H21N — CID 91217788

IUPAC3-methyl-2-methylidene-N-(3-methylidenehepta-1,4,6-trien-2-yl)hepta-3,5-dien-1-imine
SMILESC=CC=CC(=C)C(=C)/N=C\C(=C)C(C)=CC=CC
InChIInChI=1S/C17H21N/c1-7-9-11-14(3)16(5)13-18-17(6)15(4)12-10-8-2/h7-13H,2,4-6H2,1,3H3/b9-7?,12-10?,14-11?,18-13+
InChIKeyVNYSIIFRXZKHII-SZBXCWDQSA-N
MW239.36 g/mol
LogP4.95
Rot. Bonds7

About 3-methyl-2-methylidene-N-(3-methylidenehepta-1,4,6-trien-2-yl)hepta-3,5-dien-1-imine

3-methyl-2-methylidene-N-(3-methylidenehepta-1,4,6-trien-2-yl)hepta-3,5-dien-1-imine (PubChem CID 91217788) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-2-methylidene-N-(3-methylidenehepta-1,4,6-trien-2-yl)hepta-3,5-dien-1-imine.

Molecular Properties

Compound Name3-methyl-2-methylidene-N-(3-methylidenehepta-1,4,6-trien-2-yl)hepta-3,5-dien-1-imine
PubChem CID91217788
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name3-methyl-2-methylidene-N-(3-methylidenehepta-1,4,6-trien-2-yl)hepta-3,5-dien-1-imine
SMILESC=CC=CC(=C)C(=C)/N=C\C(=C)C(C)=CC=CC
InChIInChI=1S/C17H21N/c1-7-9-11-14(3)16(5)13-18-17(6)15(4)12-10-8-2/h7-13H,2,4-6H2,1,3H3/b9-7?,12-10?,14-11?,18-13+
InChIKeyVNYSIIFRXZKHII-SZBXCWDQSA-N
XLogP4.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.95
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

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CID 76588966
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3-(1-Fluoroethylidene)-2-propylidenepyridine
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5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine
CID 123938860
(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
2-methylidene-N-[(3E,5Z)-4-(trifluoromethyl)octa-1,3,5-trien-2-yl]butan-1-imine
CID 129171334
(2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine
CID 130414005
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
CID 142433312
(2E,4Z)-N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-imine
CID 144102746
N-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-2-methylprop-2-en-1-imine
CID 145540462
(E)-N-[(2E,5E)-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine
CID 163875287

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-N-(3-methylidenehepta-1,4,6-trien-2-yl)hepta-3,5-dien-1-imine?
The IUPAC name of 3-methyl-2-methylidene-N-(3-methylidenehepta-1,4,6-trien-2-yl)hepta-3,5-dien-1-imine (CID 91217788) is 3-methyl-2-methylidene-N-(3-methylidenehepta-1,4,6-trien-2-yl)hepta-3,5-dien-1-imine.
What is the SMILES notation for 3-methyl-2-methylidene-N-(3-methylidenehepta-1,4,6-trien-2-yl)hepta-3,5-dien-1-imine?
The canonical SMILES for 3-methyl-2-methylidene-N-(3-methylidenehepta-1,4,6-trien-2-yl)hepta-3,5-dien-1-imine is C=CC=CC(=C)C(=C)/N=C\C(=C)C(C)=CC=CC.
What is the InChIKey of 3-methyl-2-methylidene-N-(3-methylidenehepta-1,4,6-trien-2-yl)hepta-3,5-dien-1-imine?
The InChIKey is VNYSIIFRXZKHII-SZBXCWDQSA-N. The full InChI is InChI=1S/C17H21N/c1-7-9-11-14(3)16(5)13-18-17(6)15(4)12-10-8-2/h7-13H,2,4-6H2,1,3H3/b9-7?,12-10?,14-11?,18-13+.
What are the key properties of 3-methyl-2-methylidene-N-(3-methylidenehepta-1,4,6-trien-2-yl)hepta-3,5-dien-1-imine?
3-methyl-2-methylidene-N-(3-methylidenehepta-1,4,6-trien-2-yl)hepta-3,5-dien-1-imine has a molecular weight of 239.36 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-N-(3-methylidenehepta-1,4,6-trien-2-yl)hepta-3,5-dien-1-imine is sourced from PubChem (CID 91217788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).