3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane

C11H20N2 — CID 70507723

IUPAC3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane
SMILESC=CCN1CC2CC(CN(C)C2)C1
InChIInChI=1S/C11H20N2/c1-3-4-13-8-10-5-11(9-13)7-12(2)6-10/h3,10-11H,1,4-9H2,2H3
InChIKeyHPCJTFNQGLNXTJ-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.06
Rot. Bonds2

About 3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane

3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 70507723) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane
PubChem CID70507723
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane
SMILESC=CCN1CC2CC(CN(C)C2)C1
InChIInChI=1S/C11H20N2/c1-3-4-13-8-10-5-11(9-13)7-12(2)6-10/h3,10-11H,1,4-9H2,2H3
InChIKeyHPCJTFNQGLNXTJ-UHFFFAOYSA-N
XLogP1.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.06
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 3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane (CID 70507723) is 3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane is C=CCN1CC2CC(CN(C)C2)C1.
What is the InChIKey of 3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is HPCJTFNQGLNXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-4-13-8-10-5-11(9-13)7-12(2)6-10/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane?
3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 180.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 70507723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).