(Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine

C9H18N2 — CID 138518695

IUPAC(Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine
SMILESC/C=C\C(=C/C)C(N)NCC
InChIInChI=1S/C9H18N2/c1-4-7-8(5-2)9(10)11-6-3/h4-5,7,9,11H,6,10H2,1-3H3/b7-4-,8-5+
InChIKeyUTUVDQGEXXNLBH-DKBJKEKUSA-N
MW154.26 g/mol
LogP1.40
Rot. Bonds4

About (Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine

(Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine (PubChem CID 138518695) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine.

Molecular Properties

Compound Name(Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine
PubChem CID138518695
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine
SMILESC/C=C\C(=C/C)C(N)NCC
InChIInChI=1S/C9H18N2/c1-4-7-8(5-2)9(10)11-6-3/h4-5,7,9,11H,6,10H2,1-3H3/b7-4-,8-5+
InChIKeyUTUVDQGEXXNLBH-DKBJKEKUSA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine?
The IUPAC name of (Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine (CID 138518695) is (Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine.
What is the SMILES notation for (Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine?
The canonical SMILES for (Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine is C/C=C\C(=C/C)C(N)NCC.
What is the InChIKey of (Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine?
The InChIKey is UTUVDQGEXXNLBH-DKBJKEKUSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-7-8(5-2)9(10)11-6-3/h4-5,7,9,11H,6,10H2,1-3H3/b7-4-,8-5+.
What are the key properties of (Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine?
(Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine is sourced from PubChem (CID 138518695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).