(Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine

C12H26N2 — CID 5370209

IUPAC(Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine
SMILESCCN(CC)C/C=C\CN(CC)CC
InChIInChI=1S/C12H26N2/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h9-10H,5-8,11-12H2,1-4H3/b10-9-
InChIKeyGTSWSDCAOQCBEH-KTKRTIGZSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds8

About (Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine

(Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine (PubChem CID 5370209) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine.

Molecular Properties

Compound Name(Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine
PubChem CID5370209
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine
SMILESCCN(CC)C/C=C\CN(CC)CC
InChIInChI=1S/C12H26N2/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h9-10H,5-8,11-12H2,1-4H3/b10-9-
InChIKeyGTSWSDCAOQCBEH-KTKRTIGZSA-N
XLogP2.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine?
The IUPAC name of (Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine (CID 5370209) is (Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine.
What is the SMILES notation for (Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine?
The canonical SMILES for (Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine is CCN(CC)C/C=C\CN(CC)CC.
What is the InChIKey of (Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine?
The InChIKey is GTSWSDCAOQCBEH-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h9-10H,5-8,11-12H2,1-4H3/b10-9-.
What are the key properties of (Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine?
(Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine is sourced from PubChem (CID 5370209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).