3-fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine

C22H34FN — CID 134377565

IUPAC3-fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine
SMILESC=C1C(C)=CN(C)C(C(=C)C(CC)CC2CC2CC(C)CC)=C1F
InChIInChI=1S/C22H34FN/c1-8-14(3)10-19-12-20(19)11-18(9-2)17(6)22-21(23)16(5)15(4)13-24(22)7/h13-14,18-20H,5-6,8-12H2,1-4,7H3
InChIKeyGJHGBDJESXHSSK-UHFFFAOYSA-N
MW331.52 g/mol
LogP6.62
Rot. Bonds8

About 3-fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine

3-fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine (PubChem CID 134377565) has the molecular formula C22H34FN and a molecular weight of 331.52 g/mol. Its IUPAC name is 3-fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine.

Molecular Properties

Compound Name3-fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine
PubChem CID134377565
Molecular FormulaC22H34FN
Molecular Weight331.52 g/mol
Exact Mass331.27
IUPAC Name3-fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine
SMILESC=C1C(C)=CN(C)C(C(=C)C(CC)CC2CC2CC(C)CC)=C1F
InChIInChI=1S/C22H34FN/c1-8-14(3)10-19-12-20(19)11-18(9-2)17(6)22-21(23)16(5)15(4)13-24(22)7/h13-14,18-20H,5-6,8-12H2,1-4,7H3
InChIKeyGJHGBDJESXHSSK-UHFFFAOYSA-N
XLogP6.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.52
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-ethenyl-2-(3-fluoropentyl)-3-propylheptyl]-4-ethyl-N,3,5-trimethylcyclohexa-1,2,5-trien-1-amine
CID 123490671
(3Z)-3-ethyl-N-[(2E,4Z)-5-[(E)-3-fluorobut-2-en-2-yl]nona-2,4-dienyl]-N,4,5-trimethyldeca-1,3-dien-2-amine
CID 130243094
(3aS)-1-ethyl-4-fluoro-3-hexan-3-yl-7-methyl-3a,7a-dihydroindole
CID 143396173
3-[2-[2-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-3-methylidenecyclopropyl]ethyl]-2-[(3E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)buta-1,3-dien-2-yl]-N,N-dimethyl-3-propylcyclopropen-1-amine
CID 166689104
(3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine
CID 166907484
3,5-Bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-prop-1-en-2-ylpyridine
CID 134377117
1-(2-Butyl-1-ethylcyclopropyl)-5-ethenyl-3-methyl-4-methylidene-2-prop-1-en-2-ylpyridine
CID 134377284
5-methyl-3-(4-methylhexyl)-2-methylidene-1-[(Z)-4-methylidenehept-2-en-3-yl]pyridine
CID 144617674
(4Z,6Z)-4-ethenyl-N-methyl-N-[3-methyl-2-[2-(6-methylcyclohexa-1,5-dien-1-yl)cyclopropyl]but-3-enyl]octa-1,4,6-trien-2-amine
CID 155175296
N-[[7-(4-methylpent-1-en-2-yl)spiro[2.5]oct-6-en-6-yl]methyl]-N-propylpropan-1-amine
CID 167302876
(2Z)-2-ethylidene-4-propan-2-yl-1-[(Z)-prop-1-enyl]-3-tridecan-7-ylpyridine
CID 169881964
3,5-bis(ethenyl)-1-(1-ethyl-2-propylcyclopropyl)-4-methylidene-2-[(Z)-pent-2-en-2-yl]pyridine
CID 173750677

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine?
The IUPAC name of 3-fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine (CID 134377565) is 3-fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine.
What is the SMILES notation for 3-fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine?
The canonical SMILES for 3-fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine is C=C1C(C)=CN(C)C(C(=C)C(CC)CC2CC2CC(C)CC)=C1F.
What is the InChIKey of 3-fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine?
The InChIKey is GJHGBDJESXHSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN/c1-8-14(3)10-19-12-20(19)11-18(9-2)17(6)22-21(23)16(5)15(4)13-24(22)7/h13-14,18-20H,5-6,8-12H2,1-4,7H3.
What are the key properties of 3-fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine?
3-fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine has a molecular weight of 331.52 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine is sourced from PubChem (CID 134377565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).