1,3-bis(prop-2-enyl)-1,3-diazinane

C10H18N2 — CID 67360381

IUPAC1,3-bis(prop-2-enyl)-1,3-diazinane
SMILESC=CCN1CCCN(CC=C)C1
InChIInChI=1S/C10H18N2/c1-3-6-11-8-5-9-12(10-11)7-4-2/h3-4H,1-2,5-10H2
InChIKeyPIRXXBIGMOVSQC-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.32
Rot. Bonds4

About 1,3-bis(prop-2-enyl)-1,3-diazinane

1,3-bis(prop-2-enyl)-1,3-diazinane (PubChem CID 67360381) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,3-bis(prop-2-enyl)-1,3-diazinane.

Molecular Properties

Compound Name1,3-bis(prop-2-enyl)-1,3-diazinane
PubChem CID67360381
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,3-bis(prop-2-enyl)-1,3-diazinane
SMILESC=CCN1CCCN(CC=C)C1
InChIInChI=1S/C10H18N2/c1-3-6-11-8-5-9-12(10-11)7-4-2/h3-4H,1-2,5-10H2
InChIKeyPIRXXBIGMOVSQC-UHFFFAOYSA-N
XLogP1.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,3-bis(prop-2-enyl)-1,3-diazinane?
The IUPAC name of 1,3-bis(prop-2-enyl)-1,3-diazinane (CID 67360381) is 1,3-bis(prop-2-enyl)-1,3-diazinane.
What is the SMILES notation for 1,3-bis(prop-2-enyl)-1,3-diazinane?
The canonical SMILES for 1,3-bis(prop-2-enyl)-1,3-diazinane is C=CCN1CCCN(CC=C)C1.
What is the InChIKey of 1,3-bis(prop-2-enyl)-1,3-diazinane?
The InChIKey is PIRXXBIGMOVSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-6-11-8-5-9-12(10-11)7-4-2/h3-4H,1-2,5-10H2.
What are the key properties of 1,3-bis(prop-2-enyl)-1,3-diazinane?
1,3-bis(prop-2-enyl)-1,3-diazinane has a molecular weight of 166.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enyl)-1,3-diazinane is sourced from PubChem (CID 67360381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).