2-propan-2-yl-2-azabicyclo[3.3.2]decane

C12H23N — CID 21027698

IUPAC2-propan-2-yl-2-azabicyclo[3.3.2]decane
SMILESCC(C)N1CCC2CCCC1CC2
InChIInChI=1S/C12H23N/c1-10(2)13-9-8-11-4-3-5-12(13)7-6-11/h10-12H,3-9H2,1-2H3
InChIKeyHFVLTFKCYLXKNP-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.05
Rot. Bonds1

About 2-propan-2-yl-2-azabicyclo[3.3.2]decane

2-propan-2-yl-2-azabicyclo[3.3.2]decane (PubChem CID 21027698) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-propan-2-yl-2-azabicyclo[3.3.2]decane.

Molecular Properties

Compound Name2-propan-2-yl-2-azabicyclo[3.3.2]decane
PubChem CID21027698
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-propan-2-yl-2-azabicyclo[3.3.2]decane
SMILESCC(C)N1CCC2CCCC1CC2
InChIInChI=1S/C12H23N/c1-10(2)13-9-8-11-4-3-5-12(13)7-6-11/h10-12H,3-9H2,1-2H3
InChIKeyHFVLTFKCYLXKNP-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-propan-2-yl-2-azabicyclo[3.3.2]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-propan-2-yl-6-azabicyclo[3.2.1]octane
CID 45095908
7-methyl-2-propan-2-yl-2-azabicyclo[3.3.1]nonane
CID 174363845
8-methyl-8-azabicyclo[3.2.1]octane;2-methylpropane
CID 177033285
3-methyl-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;9-methyl-3-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane;bis(3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane);8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[3.2.2]nonane
CID 159632645
2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane
CID 176748091
1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane
CID 157076819
methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 157389417
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
ethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane
CID 176657759
CID 157364506
CID 157364506
2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane
CID 170004182
3-propan-2-yl-3-azabicyclo[4.3.1]decane
CID 121313326

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-azabicyclo[3.3.2]decane?
The IUPAC name of 2-propan-2-yl-2-azabicyclo[3.3.2]decane (CID 21027698) is 2-propan-2-yl-2-azabicyclo[3.3.2]decane.
What is the SMILES notation for 2-propan-2-yl-2-azabicyclo[3.3.2]decane?
The canonical SMILES for 2-propan-2-yl-2-azabicyclo[3.3.2]decane is CC(C)N1CCC2CCCC1CC2.
What is the InChIKey of 2-propan-2-yl-2-azabicyclo[3.3.2]decane?
The InChIKey is HFVLTFKCYLXKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)13-9-8-11-4-3-5-12(13)7-6-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-azabicyclo[3.3.2]decane?
2-propan-2-yl-2-azabicyclo[3.3.2]decane has a molecular weight of 181.32 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-azabicyclo[3.3.2]decane is sourced from PubChem (CID 21027698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).