2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone

C39H73N5O — CID 165053063

IUPAC2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone
SMILESCC(=O)N1C2CC1CN(C(C)C)C2.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CC2CCC1C2
InChIInChI=1S/C10H18N2O.2C10H19N.C9H17N/c1-7(2)11-5-9-4-10(6-11)12(9)8(3)13;1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-6-8-3-4-9(10)5-8/h7,9-10H,4-6H2,1-3H3;2*8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3
InChIKeyPYZLLPIUGCKFHS-UHFFFAOYSA-N
MW628.05 g/mol
LogP7.12
Rot. Bonds4

About 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone

2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone (PubChem CID 165053063) has the molecular formula C39H73N5O and a molecular weight of 628.05 g/mol. Its IUPAC name is 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone.

Molecular Properties

Compound Name2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone
PubChem CID165053063
Molecular FormulaC39H73N5O
Molecular Weight628.05 g/mol
Exact Mass627.58
IUPAC Name2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone
SMILESCC(=O)N1C2CC1CN(C(C)C)C2.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CC2CCC1C2
InChIInChI=1S/C10H18N2O.2C10H19N.C9H17N/c1-7(2)11-5-9-4-10(6-11)12(9)8(3)13;1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-6-8-3-4-9(10)5-8/h7,9-10H,4-6H2,1-3H3;2*8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3
InChIKeyPYZLLPIUGCKFHS-UHFFFAOYSA-N
XLogP7.12
TPSA33.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.05
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone 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
cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134506569
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
1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 158227486
cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134506567
3-(3-azabicyclo[3.3.1]nonan-3-yl)butan-2-one
CID 130479749
3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 162040228
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone
CID 13221036
piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 156837063
10-propan-2-yl-10-azabicyclo[4.3.1]decane
CID 58967881
1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
CID 70209663
2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one
CID 146393528

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone?
The IUPAC name of 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone (CID 165053063) is 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone.
What is the SMILES notation for 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone?
The canonical SMILES for 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone is CC(=O)N1C2CC1CN(C(C)C)C2.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CC2CCC1C2.
What is the InChIKey of 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone?
The InChIKey is PYZLLPIUGCKFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.2C10H19N.C9H17N/c1-7(2)11-5-9-4-10(6-11)12(9)8(3)13;1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-6-8-3-4-9(10)5-8/h7,9-10H,4-6H2,1-3H3;2*8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone?
2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone has a molecular weight of 628.05 g/mol, XLogP of 7.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone is sourced from PubChem (CID 165053063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).