6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine

C16H18FN — CID 143346348

IUPAC6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine
SMILESC=C1C(=C)C(NC2=C(F)CC=CC(CC)=C2)=C1C
InChIInChI=1S/C16H18FN/c1-5-13-7-6-8-14(17)15(9-13)18-16-11(3)10(2)12(16)4/h6-7,9,18H,2-3,5,8H2,1,4H3
InChIKeyACARWRWAHXTSGL-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.45
Rot. Bonds3

About 6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine

6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine (PubChem CID 143346348) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine
PubChem CID143346348
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine
SMILESC=C1C(=C)C(NC2=C(F)CC=CC(CC)=C2)=C1C
InChIInChI=1S/C16H18FN/c1-5-13-7-6-8-14(17)15(9-13)18-16-11(3)10(2)12(16)4/h6-7,9,18H,2-3,5,8H2,1,4H3
InChIKeyACARWRWAHXTSGL-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine with MolForge

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Related Compounds

1-ethyl-2-methylcyclopenta-1,3-diene
CID 18355720
CID 161173679
CID 161173679
6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene
CID 136734752
1-amino-3-[4-fluoro-2-(hydroxymethyl)-3-methylcyclohepta-1,3,6-trien-1-yl]-1-methylurea
CID 135190319
(1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol
CID 145053129
(2Z)-2-[[(Z)-but-2-en-2-yl]-methylamino]-5-[(4-fluoro-3-methylcyclohepta-1,3,6-trien-1-yl)methylamino]-4-methylidenehexa-2,5-dienamide;ethene
CID 143343368
ethane;2-(2-fluorocyclohepta-1,4,6-trien-1-yl)ethanamine
CID 143109921
(3E)-6-[(4-fluoro-3-methylcyclohepta-1,3,6-trien-1-yl)methylamino]-3-methyl-5-[(E)-4-(methylamino)but-2-en-2-yl]iminohepta-3,6-dien-2-one
CID 143341945
2-(6-ethylcyclohepta-1,3,4,6-tetraen-1-yl)-7,8-difluoro-3H-1-benzazepine
CID 142397709
1,3-diethylcyclobuta-1,3-diene
CID 21364081
4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene
CID 123687137
dichlorotitanium;3-ethyl-1-methylcyclopenta-1,3-diene
CID 174490821

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine (CID 143346348) is 6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine is C=C1C(=C)C(NC2=C(F)CC=CC(CC)=C2)=C1C.
What is the InChIKey of 6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine?
The InChIKey is ACARWRWAHXTSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-5-13-7-6-8-14(17)15(9-13)18-16-11(3)10(2)12(16)4/h6-7,9,18H,2-3,5,8H2,1,4H3.
What are the key properties of 6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine?
6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine has a molecular weight of 243.32 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-fluoro-N-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)cyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 143346348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).