(1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine

C15H20FN — CID 89202280

IUPAC(1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine
SMILESC=C(/C=c1/cc(F)cc/c1=C(/N)C(C)C)CC
InChIInChI=1S/C15H20FN/c1-5-11(4)8-12-9-13(16)6-7-14(12)15(17)10(2)3/h6-10H,4-5,17H2,1-3H3/b12-8-,15-14-
InChIKeyIUARNUTXAGRMOJ-YHININJHSA-N
MW233.33 g/mol
LogP2.30
Rot. Bonds3

About (1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine

(1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine (PubChem CID 89202280) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is (1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine
PubChem CID89202280
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name(1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine
SMILESC=C(/C=c1/cc(F)cc/c1=C(/N)C(C)C)CC
InChIInChI=1S/C15H20FN/c1-5-11(4)8-12-9-13(16)6-7-14(12)15(17)10(2)3/h6-10H,4-5,17H2,1-3H3/b12-8-,15-14-
InChIKeyIUARNUTXAGRMOJ-YHININJHSA-N
XLogP2.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine with MolForge

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Related Compounds

2-Fluoro-5-methylcyclohepta-1,3,6-trien-1-amine
CID 68229473
5-Fluoro-2-methylcyclohexa-1,3-dien-1-amine
CID 68244865
(5Z)-4-fluoro-7-methylocta-1,5-dien-2-amine
CID 88905582
(3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine
CID 89170034
(3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine
CID 89205391
(3E,5Z)-4-(difluoromethyl)octa-3,5,7-trien-3-amine
CID 89205392
(3E,5E)-6-fluoro-5-methylhepta-1,3,5-trien-3-amine
CID 89214934
(E,1E)-4,4,4-trifluoro-3-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-1-amine
CID 89989497
(3Z,5Z)-3-fluorodeca-1,3,5-trien-4-amine
CID 126499829
(3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine
CID 126548960
(3Z,5E,7Z)-2-methyl-6-(trifluoromethyl)nona-3,5,7-trien-3-amine
CID 126695394
(4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-amine
CID 129294277

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine?
The IUPAC name of (1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine (CID 89202280) is (1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine.
What is the SMILES notation for (1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine?
The canonical SMILES for (1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine is C=C(/C=c1/cc(F)cc/c1=C(/N)C(C)C)CC.
What is the InChIKey of (1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine?
The InChIKey is IUARNUTXAGRMOJ-YHININJHSA-N. The full InChI is InChI=1S/C15H20FN/c1-5-11(4)8-12-9-13(16)6-7-14(12)15(17)10(2)3/h6-10H,4-5,17H2,1-3H3/b12-8-,15-14-.
What are the key properties of (1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine?
(1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine has a molecular weight of 233.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine is sourced from PubChem (CID 89202280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).