2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine

C34H57F2N3 — CID 142169688

IUPAC2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine
SMILESCCC=C(CN(CCC)CCC)C(CCC)CCC.CCc1c(C)cc(F)cc1F.CCc1ccnc(N)c1
InChIInChI=1S/C18H37N.C9H10F2.C7H10N2/c1-6-11-17(12-7-2)18(13-8-3)16-19(14-9-4)15-10-5;1-3-8-6(2)4-7(10)5-9(8)11;1-2-6-3-4-9-7(8)5-6/h13,17H,6-12,14-16H2,1-5H3;4-5H,3H2,1-2H3;3-5H,2H2,1H3,(H2,8,9)
InChIKeyWSRPIPAGTSAWDV-UHFFFAOYSA-N
MW545.85 g/mol
LogP9.72
Rot. Bonds14

About 2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine

2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine (PubChem CID 142169688) has the molecular formula C34H57F2N3 and a molecular weight of 545.85 g/mol. Its IUPAC name is 2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine.

Molecular Properties

Compound Name2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine
PubChem CID142169688
Molecular FormulaC34H57F2N3
Molecular Weight545.85 g/mol
Exact Mass545.45
IUPAC Name2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine
SMILESCCC=C(CN(CCC)CCC)C(CCC)CCC.CCc1c(C)cc(F)cc1F.CCc1ccnc(N)c1
InChIInChI=1S/C18H37N.C9H10F2.C7H10N2/c1-6-11-17(12-7-2)18(13-8-3)16-19(14-9-4)15-10-5;1-3-8-6(2)4-7(10)5-9(8)11;1-2-6-3-4-9-7(8)5-6/h13,17H,6-12,14-16H2,1-5H3;4-5H,3H2,1-2H3;3-5H,2H2,1H3,(H2,8,9)
InChIKeyWSRPIPAGTSAWDV-UHFFFAOYSA-N
XLogP9.72
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.85
LogP ≤ 59.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine with MolForge

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Related Compounds

ethane;4-ethylpyridin-2-amine
CID 144736585
ethane;2-ethyl-1,5-difluoro-3-methylbenzene
CID 142885639
4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine
CID 55075177
1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol
CID 79087656
3-amino-1-(2-amino-4-pyridinyl)hexan-2-one
CID 116554635
2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol
CID 62469740
4-ethyl-2-methylpyridine;propan-2-ol
CID 145226128
ethyl 2-(acetylsulfanylmethyl)-3-(2-amino-4-pyridinyl)propanoate
CID 54149928
4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093708
4-[3-methoxy-2-(methylamino)hexyl]pyridin-2-amine
CID 116718992
ethane;4-ethyl-2-methylpyridine
CID 91358383
ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene
CID 170736558

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine?
The IUPAC name of 2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine (CID 142169688) is 2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine.
What is the SMILES notation for 2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine?
The canonical SMILES for 2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine is CCC=C(CN(CCC)CCC)C(CCC)CCC.CCc1c(C)cc(F)cc1F.CCc1ccnc(N)c1.
What is the InChIKey of 2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine?
The InChIKey is WSRPIPAGTSAWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N.C9H10F2.C7H10N2/c1-6-11-17(12-7-2)18(13-8-3)16-19(14-9-4)15-10-5;1-3-8-6(2)4-7(10)5-9(8)11;1-2-6-3-4-9-7(8)5-6/h13,17H,6-12,14-16H2,1-5H3;4-5H,3H2,1-2H3;3-5H,2H2,1H3,(H2,8,9).
What are the key properties of 2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine?
2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine has a molecular weight of 545.85 g/mol, XLogP of 9.72, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,5-difluoro-3-methylbenzene;4-ethylpyridin-2-amine;N,N,3-tripropyl-2-propylidenehexan-1-amine is sourced from PubChem (CID 142169688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).