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

C7H14N2 — CID 11615167

IUPAC(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCN1C[C@@H]2CNC[C@H]1C2
InChIInChI=1S/C7H14N2/c1-9-5-6-2-7(9)4-8-3-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyHRLBSWFFGVIFIW-NKWVEPMBSA-N
MW126.20 g/mol
LogP-0.09
Rot. Bonds

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

(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.1]octane (PubChem CID 11615167) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.1]octane
PubChem CID11615167
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCN1C[C@@H]2CNC[C@H]1C2
InChIInChI=1S/C7H14N2/c1-9-5-6-2-7(9)4-8-3-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyHRLBSWFFGVIFIW-NKWVEPMBSA-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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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.1]octane (CID 11615167) is (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.1]octane is CN1C[C@@H]2CNC[C@H]1C2.
What is the InChIKey of (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is HRLBSWFFGVIFIW-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14N2/c1-9-5-6-2-7(9)4-8-3-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of (1S,5R)-6-methyl-3,6-diazabicyclo[3.2.1]octane?
(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.1]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,5R)-6-methyl-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 11615167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).