1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine

C15H19N — CID 123656754

IUPAC1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine
SMILESCC=Cc1ccc(=CC)c(=CC)c1/C=N/C
InChIInChI=1S/C15H19N/c1-5-8-13-10-9-12(6-2)14(7-3)15(13)11-16-4/h5-11H,1-4H3/b8-5?,12-6?,14-7?,16-11+
InChIKeyKQGUIVBLUKRDJS-OWOIAAIUSA-N
MW213.32 g/mol
LogP2.37
Rot. Bonds2

About 1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine

1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine (PubChem CID 123656754) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine
PubChem CID123656754
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine
SMILESCC=Cc1ccc(=CC)c(=CC)c1/C=N/C
InChIInChI=1S/C15H19N/c1-5-8-13-10-9-12(6-2)14(7-3)15(13)11-16-4/h5-11H,1-4H3/b8-5?,12-6?,14-7?,16-11+
InChIKeyKQGUIVBLUKRDJS-OWOIAAIUSA-N
XLogP2.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
Bis-propylideneaniline
CID 129791915
ethane;N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine
CID 142546380
(2E,4E)-5-ethenyl-2-methyl-6-methylidene-N-(2,2,2-trifluoroethyl)nona-2,4-dien-1-imine
CID 146578951
(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine
CID 171555436
2-fluoro-N-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)but-2-en-1-imine
CID 173596066
(E,2Z)-2-ethylidene-N-[(Z)-1-fluoro-2-methylbut-1-enyl]-3-methylhept-3-en-1-imine
CID 173807900
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
lithium N-tert-butyl-1-[3-(tert-butyliminomethyl)benzene-2-id-1-yl]methanimine
CID 138967381
CID 164673418
CID 164673418
N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine
CID 142546381
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 143621189

Frequently Asked Questions

What is the IUPAC name of 1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine?
The IUPAC name of 1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine (CID 123656754) is 1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine.
What is the SMILES notation for 1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine?
The canonical SMILES for 1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine is CC=Cc1ccc(=CC)c(=CC)c1/C=N/C.
What is the InChIKey of 1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine?
The InChIKey is KQGUIVBLUKRDJS-OWOIAAIUSA-N. The full InChI is InChI=1S/C15H19N/c1-5-8-13-10-9-12(6-2)14(7-3)15(13)11-16-4/h5-11H,1-4H3/b8-5?,12-6?,14-7?,16-11+.
What are the key properties of 1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine?
1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine has a molecular weight of 213.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-di(ethylidene)-2-prop-1-enylcyclohexa-1,3-dien-1-yl]-N-methylmethanimine is sourced from PubChem (CID 123656754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).