(E)-2-(prop-2-enylideneamino)-1-N'-propylethene-1,1-diamine

C8H15N3 — CID 89205393

IUPAC(E)-2-(prop-2-enylideneamino)-1-N'-propylethene-1,1-diamine
SMILESC=C/C=N/C=C(\N)NCCC
InChIInChI=1S/C8H15N3/c1-3-5-10-7-8(9)11-6-4-2/h3,5,7,11H,1,4,6,9H2,2H3/b8-7+,10-5+
InChIKeyZJZHBPQCHAIKLG-LZIZUESTSA-N
MW153.23 g/mol
LogP1.00
Rot. Bonds5

About (E)-2-(prop-2-enylideneamino)-1-N'-propylethene-1,1-diamine

(E)-2-(prop-2-enylideneamino)-1-N'-propylethene-1,1-diamine (PubChem CID 89205393) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (E)-2-(prop-2-enylideneamino)-1-N'-propylethene-1,1-diamine.

Molecular Properties

Compound Name(E)-2-(prop-2-enylideneamino)-1-N'-propylethene-1,1-diamine
PubChem CID89205393
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(E)-2-(prop-2-enylideneamino)-1-N'-propylethene-1,1-diamine
SMILESC=C/C=N/C=C(\N)NCCC
InChIInChI=1S/C8H15N3/c1-3-5-10-7-8(9)11-6-4-2/h3,5,7,11H,1,4,6,9H2,2H3/b8-7+,10-5+
InChIKeyZJZHBPQCHAIKLG-LZIZUESTSA-N
XLogP1.00
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(prop-2-enylideneamino)-1-N'-propylethene-1,1-diamine?
The IUPAC name of (E)-2-(prop-2-enylideneamino)-1-N'-propylethene-1,1-diamine (CID 89205393) is (E)-2-(prop-2-enylideneamino)-1-N'-propylethene-1,1-diamine.
What is the SMILES notation for (E)-2-(prop-2-enylideneamino)-1-N'-propylethene-1,1-diamine?
The canonical SMILES for (E)-2-(prop-2-enylideneamino)-1-N'-propylethene-1,1-diamine is C=C/C=N/C=C(\N)NCCC.
What is the InChIKey of (E)-2-(prop-2-enylideneamino)-1-N'-propylethene-1,1-diamine?
The InChIKey is ZJZHBPQCHAIKLG-LZIZUESTSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-5-10-7-8(9)11-6-4-2/h3,5,7,11H,1,4,6,9H2,2H3/b8-7+,10-5+.
What are the key properties of (E)-2-(prop-2-enylideneamino)-1-N'-propylethene-1,1-diamine?
(E)-2-(prop-2-enylideneamino)-1-N'-propylethene-1,1-diamine has a molecular weight of 153.23 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(prop-2-enylideneamino)-1-N'-propylethene-1,1-diamine is sourced from PubChem (CID 89205393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).