(Z)-N-[(4Z)-4-methyl-3-methylidenehepta-1,4,6-trien-2-yl]but-2-en-1-imine

C13H17N — CID 143767783

IUPAC(Z)-N-[(4Z)-4-methyl-3-methylidenehepta-1,4,6-trien-2-yl]but-2-en-1-imine
SMILESC=C/C=C(/C)C(=C)C(=C)/N=C/C=C\C
InChIInChI=1S/C13H17N/c1-6-8-10-14-13(5)12(4)11(3)9-7-2/h6-10H,2,4-5H2,1,3H3/b8-6-,11-9-,14-10+
InChIKeyHMQKMZZOTZTMEY-OYQDNRBZSA-N
MW187.29 g/mol
LogP3.84
Rot. Bonds5

About (Z)-N-[(4Z)-4-methyl-3-methylidenehepta-1,4,6-trien-2-yl]but-2-en-1-imine

(Z)-N-[(4Z)-4-methyl-3-methylidenehepta-1,4,6-trien-2-yl]but-2-en-1-imine (PubChem CID 143767783) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (Z)-N-[(4Z)-4-methyl-3-methylidenehepta-1,4,6-trien-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(4Z)-4-methyl-3-methylidenehepta-1,4,6-trien-2-yl]but-2-en-1-imine
PubChem CID143767783
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(Z)-N-[(4Z)-4-methyl-3-methylidenehepta-1,4,6-trien-2-yl]but-2-en-1-imine
SMILESC=C/C=C(/C)C(=C)C(=C)/N=C/C=C\C
InChIInChI=1S/C13H17N/c1-6-8-10-14-13(5)12(4)11(3)9-7-2/h6-10H,2,4-5H2,1,3H3/b8-6-,11-9-,14-10+
InChIKeyHMQKMZZOTZTMEY-OYQDNRBZSA-N
XLogP3.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.84
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 (Z)-N-[(4Z)-4-methyl-3-methylidenehepta-1,4,6-trien-2-yl]but-2-en-1-imine with MolForge

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N-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-2-methylprop-2-en-1-imine
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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(4Z)-4-methyl-3-methylidenehepta-1,4,6-trien-2-yl]but-2-en-1-imine?
The IUPAC name of (Z)-N-[(4Z)-4-methyl-3-methylidenehepta-1,4,6-trien-2-yl]but-2-en-1-imine (CID 143767783) is (Z)-N-[(4Z)-4-methyl-3-methylidenehepta-1,4,6-trien-2-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-[(4Z)-4-methyl-3-methylidenehepta-1,4,6-trien-2-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-[(4Z)-4-methyl-3-methylidenehepta-1,4,6-trien-2-yl]but-2-en-1-imine is C=C/C=C(/C)C(=C)C(=C)/N=C/C=C\C.
What is the InChIKey of (Z)-N-[(4Z)-4-methyl-3-methylidenehepta-1,4,6-trien-2-yl]but-2-en-1-imine?
The InChIKey is HMQKMZZOTZTMEY-OYQDNRBZSA-N. The full InChI is InChI=1S/C13H17N/c1-6-8-10-14-13(5)12(4)11(3)9-7-2/h6-10H,2,4-5H2,1,3H3/b8-6-,11-9-,14-10+.
What are the key properties of (Z)-N-[(4Z)-4-methyl-3-methylidenehepta-1,4,6-trien-2-yl]but-2-en-1-imine?
(Z)-N-[(4Z)-4-methyl-3-methylidenehepta-1,4,6-trien-2-yl]but-2-en-1-imine has a molecular weight of 187.29 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(4Z)-4-methyl-3-methylidenehepta-1,4,6-trien-2-yl]but-2-en-1-imine is sourced from PubChem (CID 143767783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).