(E)-2-ethyl-3-methylbut-2-ene-1,4-diamine

C7H16N2 — CID 156509223

IUPAC(E)-2-ethyl-3-methylbut-2-ene-1,4-diamine
SMILESCC/C(CN)=C(/C)CN
InChIInChI=1S/C7H16N2/c1-3-7(5-9)6(2)4-8/h3-5,8-9H2,1-2H3/b7-6+
InChIKeySSAURLSBJLJNIR-VOTSOKGWSA-N
MW128.22 g/mol
LogP0.63
Rot. Bonds3

About (E)-2-ethyl-3-methylbut-2-ene-1,4-diamine

(E)-2-ethyl-3-methylbut-2-ene-1,4-diamine (PubChem CID 156509223) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (E)-2-ethyl-3-methylbut-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-2-ethyl-3-methylbut-2-ene-1,4-diamine
PubChem CID156509223
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(E)-2-ethyl-3-methylbut-2-ene-1,4-diamine
SMILESCC/C(CN)=C(/C)CN
InChIInChI=1S/C7H16N2/c1-3-7(5-9)6(2)4-8/h3-5,8-9H2,1-2H3/b7-6+
InChIKeySSAURLSBJLJNIR-VOTSOKGWSA-N
XLogP0.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.63
H-Bond Donors ≤ 52
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 (E)-2-ethyl-3-methylbut-2-ene-1,4-diamine?
The IUPAC name of (E)-2-ethyl-3-methylbut-2-ene-1,4-diamine (CID 156509223) is (E)-2-ethyl-3-methylbut-2-ene-1,4-diamine.
What is the SMILES notation for (E)-2-ethyl-3-methylbut-2-ene-1,4-diamine?
The canonical SMILES for (E)-2-ethyl-3-methylbut-2-ene-1,4-diamine is CC/C(CN)=C(/C)CN.
What is the InChIKey of (E)-2-ethyl-3-methylbut-2-ene-1,4-diamine?
The InChIKey is SSAURLSBJLJNIR-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H16N2/c1-3-7(5-9)6(2)4-8/h3-5,8-9H2,1-2H3/b7-6+.
What are the key properties of (E)-2-ethyl-3-methylbut-2-ene-1,4-diamine?
(E)-2-ethyl-3-methylbut-2-ene-1,4-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-3-methylbut-2-ene-1,4-diamine is sourced from PubChem (CID 156509223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).