(E)-2-[(1Z)-buta-1,3-dienyl]-N'-methylprop-1-ene-1,3-diamine

C8H14N2 — CID 89220899

IUPAC(E)-2-[(1Z)-buta-1,3-dienyl]-N'-methylprop-1-ene-1,3-diamine
SMILESC=C/C=C\C(=C/N)CNC
InChIInChI=1S/C8H14N2/c1-3-4-5-8(6-9)7-10-2/h3-6,10H,1,7,9H2,2H3/b5-4-,8-6+
InChIKeySCZDUBMWPVUDPJ-GSGSLZOQSA-N
MW138.21 g/mol
LogP0.79
Rot. Bonds4

About (E)-2-[(1Z)-buta-1,3-dienyl]-N'-methylprop-1-ene-1,3-diamine

(E)-2-[(1Z)-buta-1,3-dienyl]-N'-methylprop-1-ene-1,3-diamine (PubChem CID 89220899) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (E)-2-[(1Z)-buta-1,3-dienyl]-N'-methylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-2-[(1Z)-buta-1,3-dienyl]-N'-methylprop-1-ene-1,3-diamine
PubChem CID89220899
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(E)-2-[(1Z)-buta-1,3-dienyl]-N'-methylprop-1-ene-1,3-diamine
SMILESC=C/C=C\C(=C/N)CNC
InChIInChI=1S/C8H14N2/c1-3-4-5-8(6-9)7-10-2/h3-6,10H,1,7,9H2,2H3/b5-4-,8-6+
InChIKeySCZDUBMWPVUDPJ-GSGSLZOQSA-N
XLogP0.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(1Z)-buta-1,3-dienyl]-N'-methylprop-1-ene-1,3-diamine?
The IUPAC name of (E)-2-[(1Z)-buta-1,3-dienyl]-N'-methylprop-1-ene-1,3-diamine (CID 89220899) is (E)-2-[(1Z)-buta-1,3-dienyl]-N'-methylprop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-2-[(1Z)-buta-1,3-dienyl]-N'-methylprop-1-ene-1,3-diamine?
The canonical SMILES for (E)-2-[(1Z)-buta-1,3-dienyl]-N'-methylprop-1-ene-1,3-diamine is C=C/C=C\C(=C/N)CNC.
What is the InChIKey of (E)-2-[(1Z)-buta-1,3-dienyl]-N'-methylprop-1-ene-1,3-diamine?
The InChIKey is SCZDUBMWPVUDPJ-GSGSLZOQSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-4-5-8(6-9)7-10-2/h3-6,10H,1,7,9H2,2H3/b5-4-,8-6+.
What are the key properties of (E)-2-[(1Z)-buta-1,3-dienyl]-N'-methylprop-1-ene-1,3-diamine?
(E)-2-[(1Z)-buta-1,3-dienyl]-N'-methylprop-1-ene-1,3-diamine has a molecular weight of 138.21 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(1Z)-buta-1,3-dienyl]-N'-methylprop-1-ene-1,3-diamine is sourced from PubChem (CID 89220899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).