(1S,6R)-3-methyl-3,8-diazabicyclo[4.2.0]octane

C7H14N2 — CID 71432744

IUPAC(1S,6R)-3-methyl-3,8-diazabicyclo[4.2.0]octane
SMILESCN1CC[C@@H]2CN[C@@H]2C1
InChIInChI=1S/C7H14N2/c1-9-3-2-6-4-8-7(6)5-9/h6-8H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyFKLSALOSNKEZRE-RNFRBKRXSA-N
MW126.20 g/mol
LogP-0.09
Rot. Bonds

About (1S,6R)-3-methyl-3,8-diazabicyclo[4.2.0]octane

(1S,6R)-3-methyl-3,8-diazabicyclo[4.2.0]octane (PubChem CID 71432744) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1S,6R)-3-methyl-3,8-diazabicyclo[4.2.0]octane.

Molecular Properties

Compound Name(1S,6R)-3-methyl-3,8-diazabicyclo[4.2.0]octane
PubChem CID71432744
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1S,6R)-3-methyl-3,8-diazabicyclo[4.2.0]octane
SMILESCN1CC[C@@H]2CN[C@@H]2C1
InChIInChI=1S/C7H14N2/c1-9-3-2-6-4-8-7(6)5-9/h6-8H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyFKLSALOSNKEZRE-RNFRBKRXSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-dimethyl-1,2,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-3-ide;lawrencium
CID 153330751
1-methyl-3-(5-methylpyrrolidin-3-yl)pyrrolidine
CID 117269613
7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine
CID 83479743
3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine
CID 142444179
4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
CID 116855881
ethane;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 144987626
4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine
CID 82416478
(1R,6S)-3-(6-methyl-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
CID 66757628
5-cyclopropyl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64935586
tert-butyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate;tert-butyl (1R,6S)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate
CID 86222703
3-(1-methylpyrrolidin-3-yl)piperidine
CID 82413007
methane;1-methyl-4-(1-methylpiperidin-4-yl)piperidine
CID 158947160

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-3-methyl-3,8-diazabicyclo[4.2.0]octane?
The IUPAC name of (1S,6R)-3-methyl-3,8-diazabicyclo[4.2.0]octane (CID 71432744) is (1S,6R)-3-methyl-3,8-diazabicyclo[4.2.0]octane.
What is the SMILES notation for (1S,6R)-3-methyl-3,8-diazabicyclo[4.2.0]octane?
The canonical SMILES for (1S,6R)-3-methyl-3,8-diazabicyclo[4.2.0]octane is CN1CC[C@@H]2CN[C@@H]2C1.
What is the InChIKey of (1S,6R)-3-methyl-3,8-diazabicyclo[4.2.0]octane?
The InChIKey is FKLSALOSNKEZRE-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14N2/c1-9-3-2-6-4-8-7(6)5-9/h6-8H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (1S,6R)-3-methyl-3,8-diazabicyclo[4.2.0]octane?
(1S,6R)-3-methyl-3,8-diazabicyclo[4.2.0]octane has a molecular weight of 126.20 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-3-methyl-3,8-diazabicyclo[4.2.0]octane is sourced from PubChem (CID 71432744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).