(Z)-but-2-ene;ethane;N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine

C17H34N4O — CID 143566750

IUPAC(Z)-but-2-ene;ethane;N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine
SMILESC/C=C\C.CC.CCN(C=C(C)C)CCNCc1ncon1
InChIInChI=1S/C11H20N4O.C4H8.C2H6/c1-4-15(8-10(2)3)6-5-12-7-11-13-9-16-14-11;1-3-4-2;1-2/h8-9,12H,4-7H2,1-3H3;3-4H,1-2H3;1-2H3/b;4-3-;
InChIKeyFOACBVOJHLIORC-LWFKIUJUSA-N
MW310.49 g/mol
LogP4.01
Rot. Bonds7

About (Z)-but-2-ene;ethane;N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine

(Z)-but-2-ene;ethane;N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine (PubChem CID 143566750) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine
PubChem CID143566750
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name(Z)-but-2-ene;ethane;N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine
SMILESC/C=C\C.CC.CCN(C=C(C)C)CCNCc1ncon1
InChIInChI=1S/C11H20N4O.C4H8.C2H6/c1-4-15(8-10(2)3)6-5-12-7-11-13-9-16-14-11;1-3-4-2;1-2/h8-9,12H,4-7H2,1-3H3;3-4H,1-2H3;1-2H3/b;4-3-;
InChIKeyFOACBVOJHLIORC-LWFKIUJUSA-N
XLogP4.01
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of (Z)-but-2-ene;ethane;N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine (CID 143566750) is (Z)-but-2-ene;ethane;N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for (Z)-but-2-ene;ethane;N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for (Z)-but-2-ene;ethane;N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine is C/C=C\C.CC.CCN(C=C(C)C)CCNCc1ncon1.
What is the InChIKey of (Z)-but-2-ene;ethane;N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is FOACBVOJHLIORC-LWFKIUJUSA-N. The full InChI is InChI=1S/C11H20N4O.C4H8.C2H6/c1-4-15(8-10(2)3)6-5-12-7-11-13-9-16-14-11;1-3-4-2;1-2/h8-9,12H,4-7H2,1-3H3;3-4H,1-2H3;1-2H3/b;4-3-;.
What are the key properties of (Z)-but-2-ene;ethane;N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine?
(Z)-but-2-ene;ethane;N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 310.49 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;ethane;N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 143566750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).