5-ethyl-N-[4-[4-[[(Z)-hex-3-en-3-yl]amino]butan-2-yloxy]-2-methylbutan-2-yl]oct-1-en-2-amine

C25H50N2O — CID 174163242

IUPAC5-ethyl-N-[4-[4-[[(Z)-hex-3-en-3-yl]amino]butan-2-yloxy]-2-methylbutan-2-yl]oct-1-en-2-amine
SMILESC=C(CCC(CC)CCC)NC(C)(C)CCOC(C)CCN/C(=C\CC)CC
InChIInChI=1S/C25H50N2O/c1-9-13-23(11-3)16-15-21(5)27-25(7,8)18-20-28-22(6)17-19-26-24(12-4)14-10-2/h14,22-23,26-27H,5,9-13,15-20H2,1-4,6-8H3/b24-14-
InChIKeyFEOPLAGENNFSOO-OYKKKHCWSA-N
MW394.69 g/mol
LogP6.95
Rot. Bonds18

About 5-ethyl-N-[4-[4-[[(Z)-hex-3-en-3-yl]amino]butan-2-yloxy]-2-methylbutan-2-yl]oct-1-en-2-amine

5-ethyl-N-[4-[4-[[(Z)-hex-3-en-3-yl]amino]butan-2-yloxy]-2-methylbutan-2-yl]oct-1-en-2-amine (PubChem CID 174163242) has the molecular formula C25H50N2O and a molecular weight of 394.69 g/mol. Its IUPAC name is 5-ethyl-N-[4-[4-[[(Z)-hex-3-en-3-yl]amino]butan-2-yloxy]-2-methylbutan-2-yl]oct-1-en-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[4-[4-[[(Z)-hex-3-en-3-yl]amino]butan-2-yloxy]-2-methylbutan-2-yl]oct-1-en-2-amine
PubChem CID174163242
Molecular FormulaC25H50N2O
Molecular Weight394.69 g/mol
Exact Mass394.39
IUPAC Name5-ethyl-N-[4-[4-[[(Z)-hex-3-en-3-yl]amino]butan-2-yloxy]-2-methylbutan-2-yl]oct-1-en-2-amine
SMILESC=C(CCC(CC)CCC)NC(C)(C)CCOC(C)CCN/C(=C\CC)CC
InChIInChI=1S/C25H50N2O/c1-9-13-23(11-3)16-15-21(5)27-25(7,8)18-20-28-22(6)17-19-26-24(12-4)14-10-2/h14,22-23,26-27H,5,9-13,15-20H2,1-4,6-8H3/b24-14-
InChIKeyFEOPLAGENNFSOO-OYKKKHCWSA-N
XLogP6.95
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.69
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-[4-[[(Z)-hex-3-en-3-yl]amino]butan-2-yloxy]-2-methylbutan-2-yl]oct-1-en-2-amine?
The IUPAC name of 5-ethyl-N-[4-[4-[[(Z)-hex-3-en-3-yl]amino]butan-2-yloxy]-2-methylbutan-2-yl]oct-1-en-2-amine (CID 174163242) is 5-ethyl-N-[4-[4-[[(Z)-hex-3-en-3-yl]amino]butan-2-yloxy]-2-methylbutan-2-yl]oct-1-en-2-amine.
What is the SMILES notation for 5-ethyl-N-[4-[4-[[(Z)-hex-3-en-3-yl]amino]butan-2-yloxy]-2-methylbutan-2-yl]oct-1-en-2-amine?
The canonical SMILES for 5-ethyl-N-[4-[4-[[(Z)-hex-3-en-3-yl]amino]butan-2-yloxy]-2-methylbutan-2-yl]oct-1-en-2-amine is C=C(CCC(CC)CCC)NC(C)(C)CCOC(C)CCN/C(=C\CC)CC.
What is the InChIKey of 5-ethyl-N-[4-[4-[[(Z)-hex-3-en-3-yl]amino]butan-2-yloxy]-2-methylbutan-2-yl]oct-1-en-2-amine?
The InChIKey is FEOPLAGENNFSOO-OYKKKHCWSA-N. The full InChI is InChI=1S/C25H50N2O/c1-9-13-23(11-3)16-15-21(5)27-25(7,8)18-20-28-22(6)17-19-26-24(12-4)14-10-2/h14,22-23,26-27H,5,9-13,15-20H2,1-4,6-8H3/b24-14-.
What are the key properties of 5-ethyl-N-[4-[4-[[(Z)-hex-3-en-3-yl]amino]butan-2-yloxy]-2-methylbutan-2-yl]oct-1-en-2-amine?
5-ethyl-N-[4-[4-[[(Z)-hex-3-en-3-yl]amino]butan-2-yloxy]-2-methylbutan-2-yl]oct-1-en-2-amine has a molecular weight of 394.69 g/mol, XLogP of 6.95, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-[4-[[(Z)-hex-3-en-3-yl]amino]butan-2-yloxy]-2-methylbutan-2-yl]oct-1-en-2-amine is sourced from PubChem (CID 174163242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).