(2Z,5Z)-6-(1-azacyclohepta-2,3,5,7-tetraen-4-yl)-N-methyl-4-methylidenehexa-2,5-dien-1-imine

C14H14N2 — CID 131966697

IUPAC(2Z,5Z)-6-(1-azacyclohepta-2,3,5,7-tetraen-4-yl)-N-methyl-4-methylidenehexa-2,5-dien-1-imine
SMILESC=C(/C=C\C=N\C)/C=C\C1=C=CN=CC=C1
InChIInChI=1S/C14H14N2/c1-13(5-3-10-15-2)7-8-14-6-4-11-16-12-9-14/h3-8,10-12H,1H2,2H3/b5-3-,8-7-,15-10+
InChIKeyIBHZAGGQROBSGF-BQUIHDBJSA-N
MW210.28 g/mol
LogP3.04
Rot. Bonds4

About (2Z,5Z)-6-(1-azacyclohepta-2,3,5,7-tetraen-4-yl)-N-methyl-4-methylidenehexa-2,5-dien-1-imine

(2Z,5Z)-6-(1-azacyclohepta-2,3,5,7-tetraen-4-yl)-N-methyl-4-methylidenehexa-2,5-dien-1-imine (PubChem CID 131966697) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (2Z,5Z)-6-(1-azacyclohepta-2,3,5,7-tetraen-4-yl)-N-methyl-4-methylidenehexa-2,5-dien-1-imine.

Molecular Properties

Compound Name(2Z,5Z)-6-(1-azacyclohepta-2,3,5,7-tetraen-4-yl)-N-methyl-4-methylidenehexa-2,5-dien-1-imine
PubChem CID131966697
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name(2Z,5Z)-6-(1-azacyclohepta-2,3,5,7-tetraen-4-yl)-N-methyl-4-methylidenehexa-2,5-dien-1-imine
SMILESC=C(/C=C\C=N\C)/C=C\C1=C=CN=CC=C1
InChIInChI=1S/C14H14N2/c1-13(5-3-10-15-2)7-8-14-6-4-11-16-12-9-14/h3-8,10-12H,1H2,2H3/b5-3-,8-7-,15-10+
InChIKeyIBHZAGGQROBSGF-BQUIHDBJSA-N
XLogP3.04
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.04
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'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-6-(1-azacyclohepta-2,3,5,7-tetraen-4-yl)-N-methyl-4-methylidenehexa-2,5-dien-1-imine?
The IUPAC name of (2Z,5Z)-6-(1-azacyclohepta-2,3,5,7-tetraen-4-yl)-N-methyl-4-methylidenehexa-2,5-dien-1-imine (CID 131966697) is (2Z,5Z)-6-(1-azacyclohepta-2,3,5,7-tetraen-4-yl)-N-methyl-4-methylidenehexa-2,5-dien-1-imine.
What is the SMILES notation for (2Z,5Z)-6-(1-azacyclohepta-2,3,5,7-tetraen-4-yl)-N-methyl-4-methylidenehexa-2,5-dien-1-imine?
The canonical SMILES for (2Z,5Z)-6-(1-azacyclohepta-2,3,5,7-tetraen-4-yl)-N-methyl-4-methylidenehexa-2,5-dien-1-imine is C=C(/C=C\C=N\C)/C=C\C1=C=CN=CC=C1.
What is the InChIKey of (2Z,5Z)-6-(1-azacyclohepta-2,3,5,7-tetraen-4-yl)-N-methyl-4-methylidenehexa-2,5-dien-1-imine?
The InChIKey is IBHZAGGQROBSGF-BQUIHDBJSA-N. The full InChI is InChI=1S/C14H14N2/c1-13(5-3-10-15-2)7-8-14-6-4-11-16-12-9-14/h3-8,10-12H,1H2,2H3/b5-3-,8-7-,15-10+.
What are the key properties of (2Z,5Z)-6-(1-azacyclohepta-2,3,5,7-tetraen-4-yl)-N-methyl-4-methylidenehexa-2,5-dien-1-imine?
(2Z,5Z)-6-(1-azacyclohepta-2,3,5,7-tetraen-4-yl)-N-methyl-4-methylidenehexa-2,5-dien-1-imine has a molecular weight of 210.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-6-(1-azacyclohepta-2,3,5,7-tetraen-4-yl)-N-methyl-4-methylidenehexa-2,5-dien-1-imine is sourced from PubChem (CID 131966697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).