3-methyl-1,8-diazabicyclo[3.2.1]octane

C7H14N2 — CID 156845031

IUPAC3-methyl-1,8-diazabicyclo[3.2.1]octane
SMILESCC1CC2CCN(C1)N2
InChIInChI=1S/C7H14N2/c1-6-4-7-2-3-9(5-6)8-7/h6-8H,2-5H2,1H3
InChIKeyZCVDXBVIECPFJO-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.61
Rot. Bonds

About 3-methyl-1,8-diazabicyclo[3.2.1]octane

3-methyl-1,8-diazabicyclo[3.2.1]octane (PubChem CID 156845031) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-methyl-1,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methyl-1,8-diazabicyclo[3.2.1]octane
PubChem CID156845031
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-methyl-1,8-diazabicyclo[3.2.1]octane
SMILESCC1CC2CCN(C1)N2
InChIInChI=1S/C7H14N2/c1-6-4-7-2-3-9(5-6)8-7/h6-8H,2-5H2,1H3
InChIKeyZCVDXBVIECPFJO-UHFFFAOYSA-N
XLogP0.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91479044
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3,5-dimethyl-1-(2-piperidin-4-ylethyl)piperidine
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3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313832
3-methyl-1,5-diazabicyclo[3.2.2]nonane
CID 67679807
3,5-dimethyl-1-(2-piperidin-4-ylethyl)piperidine;hydrochloride
CID 120663388
3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane
CID 79677636
3-methylpyrazolidin-1-amine
CID 174846539
(3R)-3-methyl-1-(3-methylcyclopentyl)piperazine
CID 130736458
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine
CID 28775925
3-methyl-1-nitrosopiperidine
CID 26131
3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine
CID 2846436

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-methyl-1,8-diazabicyclo[3.2.1]octane (CID 156845031) is 3-methyl-1,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-methyl-1,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-methyl-1,8-diazabicyclo[3.2.1]octane is CC1CC2CCN(C1)N2.
What is the InChIKey of 3-methyl-1,8-diazabicyclo[3.2.1]octane?
The InChIKey is ZCVDXBVIECPFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6-4-7-2-3-9(5-6)8-7/h6-8H,2-5H2,1H3.
What are the key properties of 3-methyl-1,8-diazabicyclo[3.2.1]octane?
3-methyl-1,8-diazabicyclo[3.2.1]octane has a molecular weight of 126.20 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 156845031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).