(5S,6S)-7-methyl-3,7-diazatricyclo[3.2.2.01,6]nonane

C8H14N2 — CID 126692828

IUPAC(5S,6S)-7-methyl-3,7-diazatricyclo[3.2.2.01,6]nonane
SMILESCN1[C@H]2[C@H]3CCC21CNC3
InChIInChI=1S/C8H14N2/c1-10-7-6-2-3-8(7,10)5-9-4-6/h6-7,9H,2-5H2,1H3/t6-,7-,8?,10?/m0/s1
InChIKeyRMWSFBAURZCPOP-KEMUHUQJSA-N
MW138.21 g/mol
LogP0.05
Rot. Bonds

About (5S,6S)-7-methyl-3,7-diazatricyclo[3.2.2.01,6]nonane

(5S,6S)-7-methyl-3,7-diazatricyclo[3.2.2.01,6]nonane (PubChem CID 126692828) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (5S,6S)-7-methyl-3,7-diazatricyclo[3.2.2.01,6]nonane.

Molecular Properties

Compound Name(5S,6S)-7-methyl-3,7-diazatricyclo[3.2.2.01,6]nonane
PubChem CID126692828
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(5S,6S)-7-methyl-3,7-diazatricyclo[3.2.2.01,6]nonane
SMILESCN1[C@H]2[C@H]3CCC21CNC3
InChIInChI=1S/C8H14N2/c1-10-7-6-2-3-8(7,10)5-9-4-6/h6-7,9H,2-5H2,1H3/t6-,7-,8?,10?/m0/s1
InChIKeyRMWSFBAURZCPOP-KEMUHUQJSA-N
XLogP0.05
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-7-methyl-3,7-diazatricyclo[3.2.2.01,6]nonane?
The IUPAC name of (5S,6S)-7-methyl-3,7-diazatricyclo[3.2.2.01,6]nonane (CID 126692828) is (5S,6S)-7-methyl-3,7-diazatricyclo[3.2.2.01,6]nonane.
What is the SMILES notation for (5S,6S)-7-methyl-3,7-diazatricyclo[3.2.2.01,6]nonane?
The canonical SMILES for (5S,6S)-7-methyl-3,7-diazatricyclo[3.2.2.01,6]nonane is CN1[C@H]2[C@H]3CCC21CNC3.
What is the InChIKey of (5S,6S)-7-methyl-3,7-diazatricyclo[3.2.2.01,6]nonane?
The InChIKey is RMWSFBAURZCPOP-KEMUHUQJSA-N. The full InChI is InChI=1S/C8H14N2/c1-10-7-6-2-3-8(7,10)5-9-4-6/h6-7,9H,2-5H2,1H3/t6-,7-,8?,10?/m0/s1.
What are the key properties of (5S,6S)-7-methyl-3,7-diazatricyclo[3.2.2.01,6]nonane?
(5S,6S)-7-methyl-3,7-diazatricyclo[3.2.2.01,6]nonane has a molecular weight of 138.21 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-7-methyl-3,7-diazatricyclo[3.2.2.01,6]nonane is sourced from PubChem (CID 126692828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).