(10Z)-N-ethyl-10-ethylidene-4-fluoro-3-methyl-8-azabicyclo[5.4.1]dodeca-1(12),2-dien-9-imine

C16H23FN2 — CID 174020917

IUPAC(10Z)-N-ethyl-10-ethylidene-4-fluoro-3-methyl-8-azabicyclo[5.4.1]dodeca-1(12),2-dien-9-imine
SMILESC/C=C1/CC2=CC(CCC(F)C(C)=C2)N/C1=N\CC
InChIInChI=1S/C16H23FN2/c1-4-13-9-12-8-11(3)15(17)7-6-14(10-12)19-16(13)18-5-2/h4,8,10,14-15H,5-7,9H2,1-3H3,(H,18,19)/b11-8?,13-4-
InChIKeyFSTXHGAYIDBPEQ-STWJGANSSA-N
MW262.37 g/mol
LogP3.72
Rot. Bonds1

About (10Z)-N-ethyl-10-ethylidene-4-fluoro-3-methyl-8-azabicyclo[5.4.1]dodeca-1(12),2-dien-9-imine

(10Z)-N-ethyl-10-ethylidene-4-fluoro-3-methyl-8-azabicyclo[5.4.1]dodeca-1(12),2-dien-9-imine (PubChem CID 174020917) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is (10Z)-N-ethyl-10-ethylidene-4-fluoro-3-methyl-8-azabicyclo[5.4.1]dodeca-1(12),2-dien-9-imine.

Molecular Properties

Compound Name(10Z)-N-ethyl-10-ethylidene-4-fluoro-3-methyl-8-azabicyclo[5.4.1]dodeca-1(12),2-dien-9-imine
PubChem CID174020917
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name(10Z)-N-ethyl-10-ethylidene-4-fluoro-3-methyl-8-azabicyclo[5.4.1]dodeca-1(12),2-dien-9-imine
SMILESC/C=C1/CC2=CC(CCC(F)C(C)=C2)N/C1=N\CC
InChIInChI=1S/C16H23FN2/c1-4-13-9-12-8-11(3)15(17)7-6-14(10-12)19-16(13)18-5-2/h4,8,10,14-15H,5-7,9H2,1-3H3,(H,18,19)/b11-8?,13-4-
InChIKeyFSTXHGAYIDBPEQ-STWJGANSSA-N
XLogP3.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 143153091
(5Z,7E)-7-(1,1-difluoroethyl)-2-[(2E,6E)-7-fluoro-6-methylocta-2,6-dien-3-yl]-4,9-dihydro-1H-1,3-diazonine
CID 144356641
N-(4-aminocyclohexyl)-N',3-dimethyl-2-methylidenepent-3-enimidamide
CID 123545213
3-but-1-en-2-yl-N-propan-2-yl-5,6-dihydro-2H-azepin-7-amine
CID 129082407
2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine
CID 176536757

Frequently Asked Questions

What is the IUPAC name of (10Z)-N-ethyl-10-ethylidene-4-fluoro-3-methyl-8-azabicyclo[5.4.1]dodeca-1(12),2-dien-9-imine?
The IUPAC name of (10Z)-N-ethyl-10-ethylidene-4-fluoro-3-methyl-8-azabicyclo[5.4.1]dodeca-1(12),2-dien-9-imine (CID 174020917) is (10Z)-N-ethyl-10-ethylidene-4-fluoro-3-methyl-8-azabicyclo[5.4.1]dodeca-1(12),2-dien-9-imine.
What is the SMILES notation for (10Z)-N-ethyl-10-ethylidene-4-fluoro-3-methyl-8-azabicyclo[5.4.1]dodeca-1(12),2-dien-9-imine?
The canonical SMILES for (10Z)-N-ethyl-10-ethylidene-4-fluoro-3-methyl-8-azabicyclo[5.4.1]dodeca-1(12),2-dien-9-imine is C/C=C1/CC2=CC(CCC(F)C(C)=C2)N/C1=N\CC.
What is the InChIKey of (10Z)-N-ethyl-10-ethylidene-4-fluoro-3-methyl-8-azabicyclo[5.4.1]dodeca-1(12),2-dien-9-imine?
The InChIKey is FSTXHGAYIDBPEQ-STWJGANSSA-N. The full InChI is InChI=1S/C16H23FN2/c1-4-13-9-12-8-11(3)15(17)7-6-14(10-12)19-16(13)18-5-2/h4,8,10,14-15H,5-7,9H2,1-3H3,(H,18,19)/b11-8?,13-4-.
What are the key properties of (10Z)-N-ethyl-10-ethylidene-4-fluoro-3-methyl-8-azabicyclo[5.4.1]dodeca-1(12),2-dien-9-imine?
(10Z)-N-ethyl-10-ethylidene-4-fluoro-3-methyl-8-azabicyclo[5.4.1]dodeca-1(12),2-dien-9-imine has a molecular weight of 262.37 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-N-ethyl-10-ethylidene-4-fluoro-3-methyl-8-azabicyclo[5.4.1]dodeca-1(12),2-dien-9-imine is sourced from PubChem (CID 174020917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).