2-buta-1,3-dienylbutane-1,4-diamine

C8H16N2 — CID 123937470

IUPAC2-buta-1,3-dienylbutane-1,4-diamine
SMILESC=CC=CC(CN)CCN
InChIInChI=1S/C8H16N2/c1-2-3-4-8(7-10)5-6-9/h2-4,8H,1,5-7,9-10H2
InChIKeyKQHJSUOGEUDQSS-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.65
Rot. Bonds5

About 2-buta-1,3-dienylbutane-1,4-diamine

2-buta-1,3-dienylbutane-1,4-diamine (PubChem CID 123937470) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-buta-1,3-dienylbutane-1,4-diamine.

Molecular Properties

Compound Name2-buta-1,3-dienylbutane-1,4-diamine
PubChem CID123937470
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-buta-1,3-dienylbutane-1,4-diamine
SMILESC=CC=CC(CN)CCN
InChIInChI=1S/C8H16N2/c1-2-3-4-8(7-10)5-6-9/h2-4,8H,1,5-7,9-10H2
InChIKeyKQHJSUOGEUDQSS-UHFFFAOYSA-N
XLogP0.65
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.65
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 2-buta-1,3-dienylbutane-1,4-diamine?
The IUPAC name of 2-buta-1,3-dienylbutane-1,4-diamine (CID 123937470) is 2-buta-1,3-dienylbutane-1,4-diamine.
What is the SMILES notation for 2-buta-1,3-dienylbutane-1,4-diamine?
The canonical SMILES for 2-buta-1,3-dienylbutane-1,4-diamine is C=CC=CC(CN)CCN.
What is the InChIKey of 2-buta-1,3-dienylbutane-1,4-diamine?
The InChIKey is KQHJSUOGEUDQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-3-4-8(7-10)5-6-9/h2-4,8H,1,5-7,9-10H2.
What are the key properties of 2-buta-1,3-dienylbutane-1,4-diamine?
2-buta-1,3-dienylbutane-1,4-diamine has a molecular weight of 140.23 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-1,3-dienylbutane-1,4-diamine is sourced from PubChem (CID 123937470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).