(E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine

C17H25N — CID 126661770

IUPAC(E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine
SMILESC=C(/C=C(\C=C/C)C(/C)=N\C(=C/C)C(=C)C)CC
InChIInChI=1S/C17H25N/c1-8-11-16(12-14(6)9-2)15(7)18-17(10-3)13(4)5/h8,10-12H,4,6,9H2,1-3,5,7H3/b11-8-,16-12+,17-10-,18-15+
InChIKeyCIOMPCKSFVSCNS-DFYHDNDUSA-N
MW243.39 g/mol
LogP5.40
Rot. Bonds6

About (E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine

(E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine (PubChem CID 126661770) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine.

Molecular Properties

Compound Name(E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine
PubChem CID126661770
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine
SMILESC=C(/C=C(\C=C/C)C(/C)=N\C(=C/C)C(=C)C)CC
InChIInChI=1S/C17H25N/c1-8-11-16(12-14(6)9-2)15(7)18-17(10-3)13(4)5/h8,10-12H,4,6,9H2,1-3,5,7H3/b11-8-,16-12+,17-10-,18-15+
InChIKeyCIOMPCKSFVSCNS-DFYHDNDUSA-N
XLogP5.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.40
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'}

Analyze (E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine with MolForge

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Launch Full Analysis

Related Compounds

(Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine
CID 126661402
(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
ethane;N-[(2Z,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dien-3-yl]propan-2-imine
CID 144997637
6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene
CID 123708216
(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 144683889
(E)-4-[(E)-2-methylbut-1-enyl]-6-methylideneoct-4-en-3-one
CID 145025728
(3E)-2,3-difluoro-5-methylidenehepta-1,3-diene
CID 142945501
N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine
CID 155717476
but-2-ene;2-methylbut-1-ene
CID 160732246
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
1-methyl-4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]piperazine
CID 167243119
(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine
CID 139518460

Frequently Asked Questions

What is the IUPAC name of (E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine?
The IUPAC name of (E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine (CID 126661770) is (E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine.
What is the SMILES notation for (E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine?
The canonical SMILES for (E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine is C=C(/C=C(\C=C/C)C(/C)=N\C(=C/C)C(=C)C)CC.
What is the InChIKey of (E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine?
The InChIKey is CIOMPCKSFVSCNS-DFYHDNDUSA-N. The full InChI is InChI=1S/C17H25N/c1-8-11-16(12-14(6)9-2)15(7)18-17(10-3)13(4)5/h8,10-12H,4,6,9H2,1-3,5,7H3/b11-8-,16-12+,17-10-,18-15+.
What are the key properties of (E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine?
(E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine has a molecular weight of 243.39 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine is sourced from PubChem (CID 126661770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).