(6Z)-N-methyl-2-(methylideneamino)-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine

C14H16N2 — CID 126658527

IUPAC(6Z)-N-methyl-2-(methylideneamino)-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine
SMILESC=C/C=C1/C=CC(/C=C\C)=C(N=C)/C1=N/C
InChIInChI=1S/C14H16N2/c1-5-7-11-9-10-12(8-6-2)14(16-4)13(11)15-3/h5-10H,1,4H2,2-3H3/b8-6-,11-7-,15-13+
InChIKeyGFDMNSUAFGQACG-RELSMEGESA-N
MW212.30 g/mol
LogP3.27
Rot. Bonds3

About (6Z)-N-methyl-2-(methylideneamino)-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine

(6Z)-N-methyl-2-(methylideneamino)-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine (PubChem CID 126658527) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (6Z)-N-methyl-2-(methylideneamino)-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-N-methyl-2-(methylideneamino)-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine
PubChem CID126658527
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name(6Z)-N-methyl-2-(methylideneamino)-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine
SMILESC=C/C=C1/C=CC(/C=C\C)=C(N=C)/C1=N/C
InChIInChI=1S/C14H16N2/c1-5-7-11-9-10-12(8-6-2)14(16-4)13(11)15-3/h5-10H,1,4H2,2-3H3/b8-6-,11-7-,15-13+
InChIKeyGFDMNSUAFGQACG-RELSMEGESA-N
XLogP3.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-N-methyl-2-(methylideneamino)-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-N-methyl-2-(methylideneamino)-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine (CID 126658527) is (6Z)-N-methyl-2-(methylideneamino)-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-N-methyl-2-(methylideneamino)-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-N-methyl-2-(methylideneamino)-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine is C=C/C=C1/C=CC(/C=C\C)=C(N=C)/C1=N/C.
What is the InChIKey of (6Z)-N-methyl-2-(methylideneamino)-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is GFDMNSUAFGQACG-RELSMEGESA-N. The full InChI is InChI=1S/C14H16N2/c1-5-7-11-9-10-12(8-6-2)14(16-4)13(11)15-3/h5-10H,1,4H2,2-3H3/b8-6-,11-7-,15-13+.
What are the key properties of (6Z)-N-methyl-2-(methylideneamino)-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine?
(6Z)-N-methyl-2-(methylideneamino)-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 212.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-N-methyl-2-(methylideneamino)-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 126658527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).