6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane

C10H20N2 — CID 158062816

IUPAC6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane
SMILESCC(C)C1CN2CCCN1CC2
InChIInChI=1S/C10H20N2/c1-9(2)10-8-11-4-3-5-12(10)7-6-11/h9-10H,3-8H2,1-2H3
InChIKeyRVMWHATVOPVNBV-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.03
Rot. Bonds1

About 6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane

6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane (PubChem CID 158062816) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane
PubChem CID158062816
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane
SMILESCC(C)C1CN2CCCN1CC2
InChIInChI=1S/C10H20N2/c1-9(2)10-8-11-4-3-5-12(10)7-6-11/h9-10H,3-8H2,1-2H3
InChIKeyRVMWHATVOPVNBV-UHFFFAOYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-methylpentan-1-ol
CID 107892993
(1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine
CID 104932147
N-[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethyl]propan-1-amine
CID 79974093
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)butan-1-amine
CID 79969201
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)prop-2-en-1-ol
CID 127009315
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethylbutan-1-amine
CID 79973669
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5-methylhexan-1-amine
CID 83162240
3-methyl-1,5-diazabicyclo[3.2.2]nonane
CID 67679807
N-[cyclohexyl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]propan-1-amine
CID 79974439
1,4-diazabicyclo[2.2.2]octan-2-yl-(4-methylphenyl)methanamine
CID 79969351
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pentylhydrazine
CID 105249829
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-methylsulfonylpropan-1-ol
CID 79968402

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane?
The IUPAC name of 6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane (CID 158062816) is 6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for 6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane?
The canonical SMILES for 6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane is CC(C)C1CN2CCCN1CC2.
What is the InChIKey of 6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane?
The InChIKey is RVMWHATVOPVNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2)10-8-11-4-3-5-12(10)7-6-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane?
6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane has a molecular weight of 168.28 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1,5-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 158062816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).