(1S,6R,7R)-9-azabicyclo[4.2.1]nonane-7,9-diamine

C8H17N3 — CID 166671628

IUPAC(1S,6R,7R)-9-azabicyclo[4.2.1]nonane-7,9-diamine
SMILESN[C@@H]1C[C@@H]2CCCC[C@H]1N2N
InChIInChI=1S/C8H17N3/c9-7-5-6-3-1-2-4-8(7)11(6)10/h6-8H,1-5,9-10H2/t6-,7+,8+/m0/s1
InChIKeyWZIQNOZSDNTBQC-XLPZGREQSA-N
MW155.24 g/mol
LogP0.20
Rot. Bonds

About (1S,6R,7R)-9-azabicyclo[4.2.1]nonane-7,9-diamine

(1S,6R,7R)-9-azabicyclo[4.2.1]nonane-7,9-diamine (PubChem CID 166671628) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (1S,6R,7R)-9-azabicyclo[4.2.1]nonane-7,9-diamine.

Molecular Properties

Compound Name(1S,6R,7R)-9-azabicyclo[4.2.1]nonane-7,9-diamine
PubChem CID166671628
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(1S,6R,7R)-9-azabicyclo[4.2.1]nonane-7,9-diamine
SMILESN[C@@H]1C[C@@H]2CCCC[C@H]1N2N
InChIInChI=1S/C8H17N3/c9-7-5-6-3-1-2-4-8(7)11(6)10/h6-8H,1-5,9-10H2/t6-,7+,8+/m0/s1
InChIKeyWZIQNOZSDNTBQC-XLPZGREQSA-N
XLogP0.20
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,6R,7R)-9-azabicyclo[4.2.1]nonane-7,9-diamine?
The IUPAC name of (1S,6R,7R)-9-azabicyclo[4.2.1]nonane-7,9-diamine (CID 166671628) is (1S,6R,7R)-9-azabicyclo[4.2.1]nonane-7,9-diamine.
What is the SMILES notation for (1S,6R,7R)-9-azabicyclo[4.2.1]nonane-7,9-diamine?
The canonical SMILES for (1S,6R,7R)-9-azabicyclo[4.2.1]nonane-7,9-diamine is N[C@@H]1C[C@@H]2CCCC[C@H]1N2N.
What is the InChIKey of (1S,6R,7R)-9-azabicyclo[4.2.1]nonane-7,9-diamine?
The InChIKey is WZIQNOZSDNTBQC-XLPZGREQSA-N. The full InChI is InChI=1S/C8H17N3/c9-7-5-6-3-1-2-4-8(7)11(6)10/h6-8H,1-5,9-10H2/t6-,7+,8+/m0/s1.
What are the key properties of (1S,6R,7R)-9-azabicyclo[4.2.1]nonane-7,9-diamine?
(1S,6R,7R)-9-azabicyclo[4.2.1]nonane-7,9-diamine has a molecular weight of 155.24 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,7R)-9-azabicyclo[4.2.1]nonane-7,9-diamine is sourced from PubChem (CID 166671628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).