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

C19H32FN3 — CID 123714233

IUPAC2-ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine
SMILESCC/N=C(\CN)CCCC1=CCCNC1C1C=CC(F)C(C)C1
InChIInChI=1S/C19H32FN3/c1-3-22-17(13-21)8-4-6-15-7-5-11-23-19(15)16-9-10-18(20)14(2)12-16/h7,9-10,14,16,18-19,23H,3-6,8,11-13,21H2,1-2H3/b22-17-
InChIKeyMBCPDWDPRIYDNJ-XLNRJJMWSA-N
MW321.48 g/mol
LogP3.41
Rot. Bonds7

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

2-ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine (PubChem CID 123714233) has the molecular formula C19H32FN3 and a molecular weight of 321.48 g/mol. Its IUPAC name is 2-ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine.

Molecular Properties

Compound Name2-ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine
PubChem CID123714233
Molecular FormulaC19H32FN3
Molecular Weight321.48 g/mol
Exact Mass321.26
IUPAC Name2-ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine
SMILESCC/N=C(\CN)CCCC1=CCCNC1C1C=CC(F)C(C)C1
InChIInChI=1S/C19H32FN3/c1-3-22-17(13-21)8-4-6-15-7-5-11-23-19(15)16-9-10-18(20)14(2)12-16/h7,9-10,14,16,18-19,23H,3-6,8,11-13,21H2,1-2H3/b22-17-
InChIKeyMBCPDWDPRIYDNJ-XLNRJJMWSA-N
XLogP3.41
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Fluorocyclohexa-1,3-dien-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-7-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-1,2,5,6-tetrahydroquinoxaline
CID 71168163
6-(2-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-4-fluoro-N-[[3-(2-fluoro-3,4-dimethylpentan-2-yl)cyclopropa-1,2-dien-1-yl]methyl]-5-iminohept-3-en-1-amine
CID 91054963
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 123527109
N-ethyl-1-[5-[4-(4-fluorobut-1-ynyl)-1-methylcyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-pyrrol-3-yl]propan-2-amine
CID 134591565
6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453705
(2Z)-4-(6-fluoro-5-methyl-1,2-dihydropyridin-2-yl)-N-methyl-1-(4-methylcyclohexyl)penta-2,4-dien-1-imine
CID 141810185
1-cyclohexa-2,4-dien-1-yl-4-(3,3-dimethyl-2-methylidenepentyl)imino-3-fluoro-N-methylpentan-1-amine
CID 154993301
3-(3-fluorocyclohexa-2,4-dien-1-yl)-N-piperidin-4-yl-7-azabicyclo[4.2.0]octa-2,6-dien-5-amine
CID 163893228
2-Ethylimino-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]hexan-1-amine
CID 167217054
N-[[4-(1-aminoethyl)cyclohex-3-en-1-yl]methyl]-3-fluoro-3-methylhexan-1-amine
CID 144703296
(6Z)-6-ethylidene-2-fluoro-N-methyl-4-[(2E,4E)-4-methyl-5-(4-piperidin-4-ylpentan-2-ylideneamino)hepta-2,4,6-trien-2-yl]cyclohexa-2,4-dien-1-imine
CID 153383279

Frequently Asked Questions

What is the IUPAC name of 2-ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine?
The IUPAC name of 2-ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine (CID 123714233) is 2-ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine.
What is the SMILES notation for 2-ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine?
The canonical SMILES for 2-ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine is CC/N=C(\CN)CCCC1=CCCNC1C1C=CC(F)C(C)C1.
What is the InChIKey of 2-ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine?
The InChIKey is MBCPDWDPRIYDNJ-XLNRJJMWSA-N. The full InChI is InChI=1S/C19H32FN3/c1-3-22-17(13-21)8-4-6-15-7-5-11-23-19(15)16-9-10-18(20)14(2)12-16/h7,9-10,14,16,18-19,23H,3-6,8,11-13,21H2,1-2H3/b22-17-.
What are the key properties of 2-ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine?
2-ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine has a molecular weight of 321.48 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylimino-5-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]pentan-1-amine is sourced from PubChem (CID 123714233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).