3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane;ethane

C12H28N2 — CID 171531580

IUPAC3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane;ethane
SMILESCC.CC.CC1NC2CC1CN(C)C2
InChIInChI=1S/C8H16N2.2C2H6/c1-6-7-3-8(9-6)5-10(2)4-7;2*1-2/h6-9H,3-5H2,1-2H3;2*1-2H3
InChIKeyBLUGGJRMYABUBL-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.35
Rot. Bonds

About 3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane;ethane

3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane;ethane (PubChem CID 171531580) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane;ethane.

Molecular Properties

Compound Name3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane;ethane
PubChem CID171531580
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane;ethane
SMILESCC.CC.CC1NC2CC1CN(C)C2
InChIInChI=1S/C8H16N2.2C2H6/c1-6-7-3-8(9-6)5-10(2)4-7;2*1-2/h6-9H,3-5H2,1-2H3;2*1-2H3
InChIKeyBLUGGJRMYABUBL-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-Methylpyrrolidin-2-yl)piperidine
CID 219458
(4aS,7aS)-6-methyl-octahydro-1H-pyrrolo(3,4-b)pyridine
CID 1519490
6-Methyl-3,6-diazabicyclo(3.2.1)octane dihydrochloride
CID 13999282
3-Methyl-3,6-diazabicyclo[3.2.1]octane
CID 13999283
2-Methyl-2,6-diazaspiro[4.5]decane
CID 55264586
8-(Propan-2-yl)-3,8-diazabicyclo[3.2.1]octane
CID 57963913
cis-1-Methyloctahydropyrrolo[3,4-b]pyridine
CID 59676679
4-(1-Methylpyrrolidin-2-yl)piperidine
CID 66272593
3-Methyl-1-(pyrrolidin-2-ylmethyl)piperidine
CID 17389881
1-Methyl-3-(pyrrolidin-2-yl)piperidine
CID 4020197
1-Azabicyclo[3.2.1]octan-6-amine dihydrochloride
CID 165993150
1-{1-Azabicyclo[3.2.1]octan-6-yl}methanamine
CID 170914536

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane;ethane?
The IUPAC name of 3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane;ethane (CID 171531580) is 3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane;ethane.
What is the SMILES notation for 3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane;ethane?
The canonical SMILES for 3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane;ethane is CC.CC.CC1NC2CC1CN(C)C2.
What is the InChIKey of 3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane;ethane?
The InChIKey is BLUGGJRMYABUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.2C2H6/c1-6-7-3-8(9-6)5-10(2)4-7;2*1-2/h6-9H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of 3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane;ethane?
3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane;ethane has a molecular weight of 200.37 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane;ethane is sourced from PubChem (CID 171531580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).