1-pent-1-en-3-yl-1,3-diazinane

C9H18N2 — CID 174267488

IUPAC1-pent-1-en-3-yl-1,3-diazinane
SMILESC=CC(CC)N1CCCNC1
InChIInChI=1S/C9H18N2/c1-3-9(4-2)11-7-5-6-10-8-11/h3,9-10H,1,4-8H2,2H3
InChIKeySZLWCFXRQROEDB-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.20
Rot. Bonds3

About 1-pent-1-en-3-yl-1,3-diazinane

1-pent-1-en-3-yl-1,3-diazinane (PubChem CID 174267488) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-pent-1-en-3-yl-1,3-diazinane.

Molecular Properties

Compound Name1-pent-1-en-3-yl-1,3-diazinane
PubChem CID174267488
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-pent-1-en-3-yl-1,3-diazinane
SMILESC=CC(CC)N1CCCNC1
InChIInChI=1S/C9H18N2/c1-3-9(4-2)11-7-5-6-10-8-11/h3,9-10H,1,4-8H2,2H3
InChIKeySZLWCFXRQROEDB-UHFFFAOYSA-N
XLogP1.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
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-pent-1-en-3-yl-1,3-diazinane?
The IUPAC name of 1-pent-1-en-3-yl-1,3-diazinane (CID 174267488) is 1-pent-1-en-3-yl-1,3-diazinane.
What is the SMILES notation for 1-pent-1-en-3-yl-1,3-diazinane?
The canonical SMILES for 1-pent-1-en-3-yl-1,3-diazinane is C=CC(CC)N1CCCNC1.
What is the InChIKey of 1-pent-1-en-3-yl-1,3-diazinane?
The InChIKey is SZLWCFXRQROEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-9(4-2)11-7-5-6-10-8-11/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 1-pent-1-en-3-yl-1,3-diazinane?
1-pent-1-en-3-yl-1,3-diazinane has a molecular weight of 154.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-1-en-3-yl-1,3-diazinane is sourced from PubChem (CID 174267488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).