ethane;(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine

C23H47FN2 — CID 142120383

IUPACethane;(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine
SMILESCC.CC.CCCC(C)N(CCC)C(/N=C\C(F)=C(/C)CC)=C(/C)CC
InChIInChI=1S/C19H35FN2.2C2H6/c1-8-12-17(7)22(13-9-2)19(16(6)11-4)21-14-18(20)15(5)10-3;2*1-2/h14,17H,8-13H2,1-7H3;2*1-2H3/b18-15-,19-16-,21-14-;;
InChIKeyVBNIZGIZFXJIQY-ZJBWHRHUSA-N
MW370.64 g/mol
LogP8.31
Rot. Bonds10

About ethane;(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine

ethane;(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine (PubChem CID 142120383) has the molecular formula C23H47FN2 and a molecular weight of 370.64 g/mol. Its IUPAC name is ethane;(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine.

Molecular Properties

Compound Nameethane;(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine
PubChem CID142120383
Molecular FormulaC23H47FN2
Molecular Weight370.64 g/mol
Exact Mass370.37
IUPAC Nameethane;(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine
SMILESCC.CC.CCCC(C)N(CCC)C(/N=C\C(F)=C(/C)CC)=C(/C)CC
InChIInChI=1S/C19H35FN2.2C2H6/c1-8-12-17(7)22(13-9-2)19(16(6)11-4)21-14-18(20)15(5)10-3;2*1-2/h14,17H,8-13H2,1-7H3;2*1-2H3/b18-15-,19-16-,21-14-;;
InChIKeyVBNIZGIZFXJIQY-ZJBWHRHUSA-N
XLogP8.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.64
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine?
The IUPAC name of ethane;(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine (CID 142120383) is ethane;(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine.
What is the SMILES notation for ethane;(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine?
The canonical SMILES for ethane;(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine is CC.CC.CCCC(C)N(CCC)C(/N=C\C(F)=C(/C)CC)=C(/C)CC.
What is the InChIKey of ethane;(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine?
The InChIKey is VBNIZGIZFXJIQY-ZJBWHRHUSA-N. The full InChI is InChI=1S/C19H35FN2.2C2H6/c1-8-12-17(7)22(13-9-2)19(16(6)11-4)21-14-18(20)15(5)10-3;2*1-2/h14,17H,8-13H2,1-7H3;2*1-2H3/b18-15-,19-16-,21-14-;;.
What are the key properties of ethane;(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine?
ethane;(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine has a molecular weight of 370.64 g/mol, XLogP of 8.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine is sourced from PubChem (CID 142120383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).