(1S,5R)-3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane

C8H16N2 — CID 171531529

IUPAC(1S,5R)-3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane
SMILESCC1N[C@@H]2C[C@H]1CN(C)C2
InChIInChI=1S/C8H16N2/c1-6-7-3-8(9-6)5-10(2)4-7/h6-9H,3-5H2,1-2H3/t6?,7-,8+/m0/s1
InChIKeyGYNBBIASOVVYNA-ZHFSPANRSA-N
MW140.23 g/mol
LogP0.30
Rot. Bonds

About (1S,5R)-3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane

(1S,5R)-3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane (PubChem CID 171531529) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1S,5R)-3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane
PubChem CID171531529
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1S,5R)-3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane
SMILESCC1N[C@@H]2C[C@H]1CN(C)C2
InChIInChI=1S/C8H16N2/c1-6-7-3-8(9-6)5-10(2)4-7/h6-9H,3-5H2,1-2H3/t6?,7-,8+/m0/s1
InChIKeyGYNBBIASOVVYNA-ZHFSPANRSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.30
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 (1S,5R)-3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane (CID 171531529) is (1S,5R)-3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane is CC1N[C@@H]2C[C@H]1CN(C)C2.
What is the InChIKey of (1S,5R)-3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is GYNBBIASOVVYNA-ZHFSPANRSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-7-3-8(9-6)5-10(2)4-7/h6-9H,3-5H2,1-2H3/t6?,7-,8+/m0/s1.
What are the key properties of (1S,5R)-3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane?
(1S,5R)-3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 140.23 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3,7-dimethyl-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 171531529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).