(3S)-3-methyl-4,7-diazatricyclo[5.2.0.01,4]nonane

C8H14N2 — CID 126657200

IUPAC(3S)-3-methyl-4,7-diazatricyclo[5.2.0.01,4]nonane
SMILESC[C@H]1CC23CCN2CCN13
InChIInChI=1S/C8H14N2/c1-7-6-8-2-3-9(8)4-5-10(7)8/h7H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyIEQOBAZXXUETMG-JAMMHHFISA-N
MW138.21 g/mol
LogP0.50
Rot. Bonds

About (3S)-3-methyl-4,7-diazatricyclo[5.2.0.01,4]nonane

(3S)-3-methyl-4,7-diazatricyclo[5.2.0.01,4]nonane (PubChem CID 126657200) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (3S)-3-methyl-4,7-diazatricyclo[5.2.0.01,4]nonane.

Molecular Properties

Compound Name(3S)-3-methyl-4,7-diazatricyclo[5.2.0.01,4]nonane
PubChem CID126657200
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(3S)-3-methyl-4,7-diazatricyclo[5.2.0.01,4]nonane
SMILESC[C@H]1CC23CCN2CCN13
InChIInChI=1S/C8H14N2/c1-7-6-8-2-3-9(8)4-5-10(7)8/h7H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyIEQOBAZXXUETMG-JAMMHHFISA-N
XLogP0.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4,7-diazatricyclo[5.2.0.01,4]nonane?
The IUPAC name of (3S)-3-methyl-4,7-diazatricyclo[5.2.0.01,4]nonane (CID 126657200) is (3S)-3-methyl-4,7-diazatricyclo[5.2.0.01,4]nonane.
What is the SMILES notation for (3S)-3-methyl-4,7-diazatricyclo[5.2.0.01,4]nonane?
The canonical SMILES for (3S)-3-methyl-4,7-diazatricyclo[5.2.0.01,4]nonane is C[C@H]1CC23CCN2CCN13.
What is the InChIKey of (3S)-3-methyl-4,7-diazatricyclo[5.2.0.01,4]nonane?
The InChIKey is IEQOBAZXXUETMG-JAMMHHFISA-N. The full InChI is InChI=1S/C8H14N2/c1-7-6-8-2-3-9(8)4-5-10(7)8/h7H,2-6H2,1H3/t7-,8?/m0/s1.
What are the key properties of (3S)-3-methyl-4,7-diazatricyclo[5.2.0.01,4]nonane?
(3S)-3-methyl-4,7-diazatricyclo[5.2.0.01,4]nonane has a molecular weight of 138.21 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4,7-diazatricyclo[5.2.0.01,4]nonane is sourced from PubChem (CID 126657200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).