1,3-dimethyl-2-[(E)-prop-1-enyl]-1,3-diazinane

C9H18N2 — CID 5383426

IUPAC1,3-dimethyl-2-[(E)-prop-1-enyl]-1,3-diazinane
SMILESC/C=C/C1N(C)CCCN1C
InChIInChI=1S/C9H18N2/c1-4-6-9-10(2)7-5-8-11(9)3/h4,6,9H,5,7-8H2,1-3H3/b6-4+
InChIKeySTDFCWOCPNAOFA-GQCTYLIASA-N
MW154.26 g/mol
LogP1.16
Rot. Bonds1

About 1,3-dimethyl-2-[(E)-prop-1-enyl]-1,3-diazinane

1,3-dimethyl-2-[(E)-prop-1-enyl]-1,3-diazinane (PubChem CID 5383426) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1,3-dimethyl-2-[(E)-prop-1-enyl]-1,3-diazinane.

Molecular Properties

Compound Name1,3-dimethyl-2-[(E)-prop-1-enyl]-1,3-diazinane
PubChem CID5383426
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1,3-dimethyl-2-[(E)-prop-1-enyl]-1,3-diazinane
SMILESC/C=C/C1N(C)CCCN1C
InChIInChI=1S/C9H18N2/c1-4-6-9-10(2)7-5-8-11(9)3/h4,6,9H,5,7-8H2,1-3H3/b6-4+
InChIKeySTDFCWOCPNAOFA-GQCTYLIASA-N
XLogP1.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.16
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-dimethyl-2-[(E)-prop-1-enyl]-1,3-diazinane?
The IUPAC name of 1,3-dimethyl-2-[(E)-prop-1-enyl]-1,3-diazinane (CID 5383426) is 1,3-dimethyl-2-[(E)-prop-1-enyl]-1,3-diazinane.
What is the SMILES notation for 1,3-dimethyl-2-[(E)-prop-1-enyl]-1,3-diazinane?
The canonical SMILES for 1,3-dimethyl-2-[(E)-prop-1-enyl]-1,3-diazinane is C/C=C/C1N(C)CCCN1C.
What is the InChIKey of 1,3-dimethyl-2-[(E)-prop-1-enyl]-1,3-diazinane?
The InChIKey is STDFCWOCPNAOFA-GQCTYLIASA-N. The full InChI is InChI=1S/C9H18N2/c1-4-6-9-10(2)7-5-8-11(9)3/h4,6,9H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of 1,3-dimethyl-2-[(E)-prop-1-enyl]-1,3-diazinane?
1,3-dimethyl-2-[(E)-prop-1-enyl]-1,3-diazinane has a molecular weight of 154.26 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-[(E)-prop-1-enyl]-1,3-diazinane is sourced from PubChem (CID 5383426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).