2-methylidene-3,7-diazabicyclo[3.3.1]nonane

C8H14N2 — CID 19439009

IUPAC2-methylidene-3,7-diazabicyclo[3.3.1]nonane
SMILESC=C1NCC2CNCC1C2
InChIInChI=1S/C8H14N2/c1-6-8-2-7(4-10-6)3-9-5-8/h7-10H,1-5H2
InChIKeyZOKPTEDTLSWZPX-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.33
Rot. Bonds

About 2-methylidene-3,7-diazabicyclo[3.3.1]nonane

2-methylidene-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 19439009) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-methylidene-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-methylidene-3,7-diazabicyclo[3.3.1]nonane
PubChem CID19439009
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-methylidene-3,7-diazabicyclo[3.3.1]nonane
SMILESC=C1NCC2CNCC1C2
InChIInChI=1S/C8H14N2/c1-6-8-2-7(4-10-6)3-9-5-8/h7-10H,1-5H2
InChIKeyZOKPTEDTLSWZPX-UHFFFAOYSA-N
XLogP0.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 2-methylidene-3,7-diazabicyclo[3.3.1]nonane (CID 19439009) is 2-methylidene-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 2-methylidene-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 2-methylidene-3,7-diazabicyclo[3.3.1]nonane is C=C1NCC2CNCC1C2.
What is the InChIKey of 2-methylidene-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is ZOKPTEDTLSWZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-8-2-7(4-10-6)3-9-5-8/h7-10H,1-5H2.
What are the key properties of 2-methylidene-3,7-diazabicyclo[3.3.1]nonane?
2-methylidene-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 138.21 g/mol, XLogP of 0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 19439009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).