N-[1-(4-butyl-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-2,6-dimethylidenepiperidin-3-amine

C20H29FN2 — CID 174245348

IUPACN-[1-(4-butyl-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-2,6-dimethylidenepiperidin-3-amine
SMILESC=C1CCC(NC(=C)C2=CCC(C)(CCCC)C=C2F)C(=C)N1
InChIInChI=1S/C20H29FN2/c1-6-7-11-20(5)12-10-17(18(21)13-20)15(3)23-19-9-8-14(2)22-16(19)4/h10,13,19,22-23H,2-4,6-9,11-12H2,1,5H3
InChIKeyGNUDUNYIJNKUEM-UHFFFAOYSA-N
MW316.46 g/mol
LogP5.25
Rot. Bonds6

About N-[1-(4-butyl-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-2,6-dimethylidenepiperidin-3-amine

N-[1-(4-butyl-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-2,6-dimethylidenepiperidin-3-amine (PubChem CID 174245348) has the molecular formula C20H29FN2 and a molecular weight of 316.46 g/mol. Its IUPAC name is N-[1-(4-butyl-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-2,6-dimethylidenepiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(4-butyl-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-2,6-dimethylidenepiperidin-3-amine
PubChem CID174245348
Molecular FormulaC20H29FN2
Molecular Weight316.46 g/mol
Exact Mass316.23
IUPAC NameN-[1-(4-butyl-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-2,6-dimethylidenepiperidin-3-amine
SMILESC=C1CCC(NC(=C)C2=CCC(C)(CCCC)C=C2F)C(=C)N1
InChIInChI=1S/C20H29FN2/c1-6-7-11-20(5)12-10-17(18(21)13-20)15(3)23-19-9-8-14(2)22-16(19)4/h10,13,19,22-23H,2-4,6-9,11-12H2,1,5H3
InChIKeyGNUDUNYIJNKUEM-UHFFFAOYSA-N
XLogP5.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.46
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butyl-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-2,6-dimethylidenepiperidin-3-amine?
The IUPAC name of N-[1-(4-butyl-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-2,6-dimethylidenepiperidin-3-amine (CID 174245348) is N-[1-(4-butyl-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-2,6-dimethylidenepiperidin-3-amine.
What is the SMILES notation for N-[1-(4-butyl-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-2,6-dimethylidenepiperidin-3-amine?
The canonical SMILES for N-[1-(4-butyl-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-2,6-dimethylidenepiperidin-3-amine is C=C1CCC(NC(=C)C2=CCC(C)(CCCC)C=C2F)C(=C)N1.
What is the InChIKey of N-[1-(4-butyl-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-2,6-dimethylidenepiperidin-3-amine?
The InChIKey is GNUDUNYIJNKUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2/c1-6-7-11-20(5)12-10-17(18(21)13-20)15(3)23-19-9-8-14(2)22-16(19)4/h10,13,19,22-23H,2-4,6-9,11-12H2,1,5H3.
What are the key properties of N-[1-(4-butyl-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-2,6-dimethylidenepiperidin-3-amine?
N-[1-(4-butyl-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-2,6-dimethylidenepiperidin-3-amine has a molecular weight of 316.46 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butyl-6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-2,6-dimethylidenepiperidin-3-amine is sourced from PubChem (CID 174245348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).