3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride

C9H20Cl2N2 — CID 146675589

IUPAC3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
SMILESCC(C)N1CC2CCC(C1)N2.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-7(2)11-5-8-3-4-9(6-11)10-8;;/h7-10H,3-6H2,1-2H3;2*1H
InChIKeyUYAKTKUYLFOKPI-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.67
Rot. Bonds1

About 3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride

3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride (PubChem CID 146675589) has the molecular formula C9H20Cl2N2 and a molecular weight of 227.18 g/mol. Its IUPAC name is 3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride.

Molecular Properties

Compound Name3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
PubChem CID146675589
Molecular FormulaC9H20Cl2N2
Molecular Weight227.18 g/mol
Exact Mass226.10
IUPAC Name3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
SMILESCC(C)N1CC2CCC(C1)N2.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-7(2)11-5-8-3-4-9(6-11)10-8;;/h7-10H,3-6H2,1-2H3;2*1H
InChIKeyUYAKTKUYLFOKPI-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;trihydrochloride
CID 165084939
3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 115313863
(3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane
CID 168910991
3-(1-propan-2-ylazepan-4-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313913
4-(3-methylphenoxy)-1-propan-2-ylpiperidine;(1S,5R)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 170625369
1-propan-2-ylazetidin-3-amine;hydrochloride
CID 134588428
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 156708920
3-heptan-3-yl-3,8-diazabicyclo[3.2.1]octane
CID 167202044
3-[1-(1-methylpyrazol-4-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 113284725
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
2-(3,6-diazabicyclo[3.1.1]heptan-3-yl)propanoic acid
CID 84765770

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride?
The IUPAC name of 3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride (CID 146675589) is 3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride.
What is the SMILES notation for 3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride?
The canonical SMILES for 3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride is CC(C)N1CC2CCC(C1)N2.Cl.Cl.
What is the InChIKey of 3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride?
The InChIKey is UYAKTKUYLFOKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.2ClH/c1-7(2)11-5-8-3-4-9(6-11)10-8;;/h7-10H,3-6H2,1-2H3;2*1H.
What are the key properties of 3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride?
3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride has a molecular weight of 227.18 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride is sourced from PubChem (CID 146675589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).