1,4-bis(prop-2-enyl)triazonane

C12H23N3 — CID 70313807

IUPAC1,4-bis(prop-2-enyl)triazonane
SMILESC=CCC1CCCCCN(CC=C)NN1
InChIInChI=1S/C12H23N3/c1-3-8-12-9-6-5-7-11-15(10-4-2)14-13-12/h3-4,12-14H,1-2,5-11H2
InChIKeyAWVCACLNDQLOIK-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.00
Rot. Bonds4

About 1,4-bis(prop-2-enyl)triazonane

1,4-bis(prop-2-enyl)triazonane (PubChem CID 70313807) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1,4-bis(prop-2-enyl)triazonane.

Molecular Properties

Compound Name1,4-bis(prop-2-enyl)triazonane
PubChem CID70313807
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1,4-bis(prop-2-enyl)triazonane
SMILESC=CCC1CCCCCN(CC=C)NN1
InChIInChI=1S/C12H23N3/c1-3-8-12-9-6-5-7-11-15(10-4-2)14-13-12/h3-4,12-14H,1-2,5-11H2
InChIKeyAWVCACLNDQLOIK-UHFFFAOYSA-N
XLogP2.00
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1,4-bis(prop-2-enyl)triazonane?
The IUPAC name of 1,4-bis(prop-2-enyl)triazonane (CID 70313807) is 1,4-bis(prop-2-enyl)triazonane.
What is the SMILES notation for 1,4-bis(prop-2-enyl)triazonane?
The canonical SMILES for 1,4-bis(prop-2-enyl)triazonane is C=CCC1CCCCCN(CC=C)NN1.
What is the InChIKey of 1,4-bis(prop-2-enyl)triazonane?
The InChIKey is AWVCACLNDQLOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-8-12-9-6-5-7-11-15(10-4-2)14-13-12/h3-4,12-14H,1-2,5-11H2.
What are the key properties of 1,4-bis(prop-2-enyl)triazonane?
1,4-bis(prop-2-enyl)triazonane has a molecular weight of 209.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(prop-2-enyl)triazonane is sourced from PubChem (CID 70313807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).