8-(2-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-7,9-diazabicyclo[4.3.1]dec-2-ene

C15H25N3 — CID 91566210

IUPAC8-(2-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-7,9-diazabicyclo[4.3.1]dec-2-ene
SMILESCC1=CC2CC(CC1)NC(C1NC3CCC1C3)N2
InChIInChI=1S/C15H25N3/c1-9-2-4-12-8-13(6-9)18-15(17-12)14-10-3-5-11(7-10)16-14/h6,10-18H,2-5,7-8H2,1H3
InChIKeyBHBIKQSMUWSQHN-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.51
Rot. Bonds1

About 8-(2-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-7,9-diazabicyclo[4.3.1]dec-2-ene

8-(2-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-7,9-diazabicyclo[4.3.1]dec-2-ene (PubChem CID 91566210) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 8-(2-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-7,9-diazabicyclo[4.3.1]dec-2-ene.

Molecular Properties

Compound Name8-(2-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-7,9-diazabicyclo[4.3.1]dec-2-ene
PubChem CID91566210
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name8-(2-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-7,9-diazabicyclo[4.3.1]dec-2-ene
SMILESCC1=CC2CC(CC1)NC(C1NC3CCC1C3)N2
InChIInChI=1S/C15H25N3/c1-9-2-4-12-8-13(6-9)18-15(17-12)14-10-3-5-11(7-10)16-14/h6,10-18H,2-5,7-8H2,1H3
InChIKeyBHBIKQSMUWSQHN-UHFFFAOYSA-N
XLogP1.51
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569091
6-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569165
2-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569718
2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569829

Frequently Asked Questions

What is the IUPAC name of 8-(2-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-7,9-diazabicyclo[4.3.1]dec-2-ene?
The IUPAC name of 8-(2-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-7,9-diazabicyclo[4.3.1]dec-2-ene (CID 91566210) is 8-(2-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-7,9-diazabicyclo[4.3.1]dec-2-ene.
What is the SMILES notation for 8-(2-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-7,9-diazabicyclo[4.3.1]dec-2-ene?
The canonical SMILES for 8-(2-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-7,9-diazabicyclo[4.3.1]dec-2-ene is CC1=CC2CC(CC1)NC(C1NC3CCC1C3)N2.
What is the InChIKey of 8-(2-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-7,9-diazabicyclo[4.3.1]dec-2-ene?
The InChIKey is BHBIKQSMUWSQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-9-2-4-12-8-13(6-9)18-15(17-12)14-10-3-5-11(7-10)16-14/h6,10-18H,2-5,7-8H2,1H3.
What are the key properties of 8-(2-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-7,9-diazabicyclo[4.3.1]dec-2-ene?
8-(2-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-7,9-diazabicyclo[4.3.1]dec-2-ene has a molecular weight of 247.39 g/mol, XLogP of 1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-azabicyclo[2.2.1]heptan-3-yl)-3-methyl-7,9-diazabicyclo[4.3.1]dec-2-ene is sourced from PubChem (CID 91566210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).