3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane

C12H23N — CID 171046370

IUPAC3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane
SMILESCC(C)C1CC2CN(C(C)C)C2C1
InChIInChI=1S/C12H23N/c1-8(2)10-5-11-7-13(9(3)4)12(11)6-10/h8-12H,5-7H2,1-4H3
InChIKeyCQNRRACHNGEPFZ-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.76
Rot. Bonds2

About 3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane

3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane (PubChem CID 171046370) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane
PubChem CID171046370
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane
SMILESCC(C)C1CC2CN(C(C)C)C2C1
InChIInChI=1S/C12H23N/c1-8(2)10-5-11-7-13(9(3)4)12(11)6-10/h8-12H,5-7H2,1-4H3
InChIKeyCQNRRACHNGEPFZ-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 67986230
(2R,4S)-2-cyclopropyl-1,4-di(propan-2-yl)piperidine
CID 174295504
1-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
CID 58179511
6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane
CID 171591162
(1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine
CID 172546338
2-tert-butyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 154651567
8-propan-2-yl-8-azabicyclo[5.2.0]nonane
CID 166687611
(1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane
CID 166773781
(3aR,6aS)-2-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166940777
3-(3-propan-2-ylcyclobutyl)cyclobutan-1-amine
CID 146600064
(3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine
CID 177148579
3-propan-2-ylbicyclo[3.1.1]heptan-6-amine
CID 158321353

Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane?
The IUPAC name of 3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane (CID 171046370) is 3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane?
The canonical SMILES for 3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane is CC(C)C1CC2CN(C(C)C)C2C1.
What is the InChIKey of 3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane?
The InChIKey is CQNRRACHNGEPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-8(2)10-5-11-7-13(9(3)4)12(11)6-10/h8-12H,5-7H2,1-4H3.
What are the key properties of 3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane?
3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane has a molecular weight of 181.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 171046370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).