N-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine

C19H27FN2 — CID 90781512

IUPACN-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine
SMILESC=C1C=CC(F)=CN1/C(=N/C1CCCCC1)C(=CC)C(C)C
InChIInChI=1S/C19H27FN2/c1-5-18(14(2)3)19(21-17-9-7-6-8-10-17)22-13-16(20)12-11-15(22)4/h5,11-14,17H,4,6-10H2,1-3H3/b18-5?,21-19+
InChIKeyKAMWGILJBYKTJH-YYPPYOSESA-N
MW302.44 g/mol
LogP5.52
Rot. Bonds3

About N-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine

N-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine (PubChem CID 90781512) has the molecular formula C19H27FN2 and a molecular weight of 302.44 g/mol. Its IUPAC name is N-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine.

Molecular Properties

Compound NameN-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine
PubChem CID90781512
Molecular FormulaC19H27FN2
Molecular Weight302.44 g/mol
Exact Mass302.22
IUPAC NameN-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine
SMILESC=C1C=CC(F)=CN1/C(=N/C1CCCCC1)C(=CC)C(C)C
InChIInChI=1S/C19H27FN2/c1-5-18(14(2)3)19(21-17-9-7-6-8-10-17)22-13-16(20)12-11-15(22)4/h5,11-14,17H,4,6-10H2,1-3H3/b18-5?,21-19+
InChIKeyKAMWGILJBYKTJH-YYPPYOSESA-N
XLogP5.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.44
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(2E,4Z,6Z)-4-(fluoromethyl)-3-methylocta-2,4,6-trienylidene]-4-methylidene-6-[(2S)-2-methylpiperidin-1-yl]pyrimidine
CID 126516332
4-cyclopropylidene-2-[(2E,4E)-5-fluoro-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylhexyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine
CID 170018229
2-(Cyclohexen-1-yl)-7-fluoro-4-methylidene-9-(1,1,1-trifluoropropan-2-yl)pyrido[1,2-a]pyrimidine
CID 168202202
N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine
CID 91598723
(E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine
CID 126516250
1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine;ethene
CID 142947991
(3Z)-N-ethyl-1-(2-methylcyclopentyl)-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine
CID 156349479
1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine
CID 142947992

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine?
The IUPAC name of N-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine (CID 90781512) is N-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine.
What is the SMILES notation for N-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine?
The canonical SMILES for N-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine is C=C1C=CC(F)=CN1/C(=N/C1CCCCC1)C(=CC)C(C)C.
What is the InChIKey of N-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine?
The InChIKey is KAMWGILJBYKTJH-YYPPYOSESA-N. The full InChI is InChI=1S/C19H27FN2/c1-5-18(14(2)3)19(21-17-9-7-6-8-10-17)22-13-16(20)12-11-15(22)4/h5,11-14,17H,4,6-10H2,1-3H3/b18-5?,21-19+.
What are the key properties of N-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine?
N-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine has a molecular weight of 302.44 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine is sourced from PubChem (CID 90781512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).