9-methyl-1,2-diazabicyclo[3.3.1]non-6-ene

C8H14N2 — CID 90909223

IUPAC9-methyl-1,2-diazabicyclo[3.3.1]non-6-ene
SMILESCC1C2C=CCN1NCC2
InChIInChI=1S/C8H14N2/c1-7-8-3-2-6-10(7)9-5-4-8/h2-3,7-9H,4-6H2,1H3
InChIKeyVJSGSKFJWLRKHW-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.77
Rot. Bonds

About 9-methyl-1,2-diazabicyclo[3.3.1]non-6-ene

9-methyl-1,2-diazabicyclo[3.3.1]non-6-ene (PubChem CID 90909223) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 9-methyl-1,2-diazabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name9-methyl-1,2-diazabicyclo[3.3.1]non-6-ene
PubChem CID90909223
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name9-methyl-1,2-diazabicyclo[3.3.1]non-6-ene
SMILESCC1C2C=CCN1NCC2
InChIInChI=1S/C8H14N2/c1-7-8-3-2-6-10(7)9-5-4-8/h2-3,7-9H,4-6H2,1H3
InChIKeyVJSGSKFJWLRKHW-UHFFFAOYSA-N
XLogP0.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane
CID 144825298
3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine
CID 154385450
1,2-Diazabicyclo[3.3.1]non-6-ene
CID 159933399
(2R)-9-methyl-4,9,10-triazatricyclo[6.4.0.02,4]dodec-6-ene
CID 163758192
N-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine
CID 83006768
N-(cyclohex-3-en-1-ylmethyl)-2,6-dimethylpiperidin-1-amine
CID 83007604
N-cyclohex-2-en-1-ylpiperidin-1-amine
CID 107907720
N-cyclohex-2-en-1-yl-2,6-dimethylpiperidin-1-amine
CID 107907725

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2-diazabicyclo[3.3.1]non-6-ene?
The IUPAC name of 9-methyl-1,2-diazabicyclo[3.3.1]non-6-ene (CID 90909223) is 9-methyl-1,2-diazabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 9-methyl-1,2-diazabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 9-methyl-1,2-diazabicyclo[3.3.1]non-6-ene is CC1C2C=CCN1NCC2.
What is the InChIKey of 9-methyl-1,2-diazabicyclo[3.3.1]non-6-ene?
The InChIKey is VJSGSKFJWLRKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7-8-3-2-6-10(7)9-5-4-8/h2-3,7-9H,4-6H2,1H3.
What are the key properties of 9-methyl-1,2-diazabicyclo[3.3.1]non-6-ene?
9-methyl-1,2-diazabicyclo[3.3.1]non-6-ene has a molecular weight of 138.21 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2-diazabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 90909223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).