2-ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine

C20H34FN3 — CID 167217054

IUPAC2-ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine
SMILESCC/N=C(\CN)CCCCC1=CCCNC1C1C=CC(F)C(C)C1
InChIInChI=1S/C20H34FN3/c1-3-23-18(14-22)9-5-4-7-16-8-6-12-24-20(16)17-10-11-19(21)15(2)13-17/h8,10-11,15,17,19-20,24H,3-7,9,12-14,22H2,1-2H3/b23-18-
InChIKeyFFDMCQYSGLUACW-NKFKGCMQSA-N
MW335.51 g/mol
LogP3.81
Rot. Bonds8

About 2-ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine

2-ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine (PubChem CID 167217054) has the molecular formula C20H34FN3 and a molecular weight of 335.51 g/mol. Its IUPAC name is 2-ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine.

Molecular Properties

Compound Name2-ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine
PubChem CID167217054
Molecular FormulaC20H34FN3
Molecular Weight335.51 g/mol
Exact Mass335.27
IUPAC Name2-ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine
SMILESCC/N=C(\CN)CCCCC1=CCCNC1C1C=CC(F)C(C)C1
InChIInChI=1S/C20H34FN3/c1-3-23-18(14-22)9-5-4-7-16-8-6-12-24-20(16)17-10-11-19(21)15(2)13-17/h8,10-11,15,17,19-20,24H,3-7,9,12-14,22H2,1-2H3/b23-18-
InChIKeyFFDMCQYSGLUACW-NKFKGCMQSA-N
XLogP3.81
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine?
The IUPAC name of 2-ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine (CID 167217054) is 2-ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine.
What is the SMILES notation for 2-ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine?
The canonical SMILES for 2-ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine is CC/N=C(\CN)CCCCC1=CCCNC1C1C=CC(F)C(C)C1.
What is the InChIKey of 2-ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine?
The InChIKey is FFDMCQYSGLUACW-NKFKGCMQSA-N. The full InChI is InChI=1S/C20H34FN3/c1-3-23-18(14-22)9-5-4-7-16-8-6-12-24-20(16)17-10-11-19(21)15(2)13-17/h8,10-11,15,17,19-20,24H,3-7,9,12-14,22H2,1-2H3/b23-18-.
What are the key properties of 2-ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine?
2-ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine has a molecular weight of 335.51 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine is sourced from PubChem (CID 167217054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).