(1R,6S,9R)-9-N-methyl-7-azabicyclo[4.2.2]decane-7,9-diamine

C10H21N3 — CID 166671629

IUPAC(1R,6S,9R)-9-N-methyl-7-azabicyclo[4.2.2]decane-7,9-diamine
SMILESCN[C@@H]1C[C@@H]2CCCC[C@@H]1CN2N
InChIInChI=1S/C10H21N3/c1-12-10-6-9-5-3-2-4-8(10)7-13(9)11/h8-10,12H,2-7,11H2,1H3/t8-,9+,10-/m1/s1
InChIKeyDVZAZWRBQFTSNI-KXUCPTDWSA-N
MW183.30 g/mol
LogP0.71
Rot. Bonds1

About (1R,6S,9R)-9-N-methyl-7-azabicyclo[4.2.2]decane-7,9-diamine

(1R,6S,9R)-9-N-methyl-7-azabicyclo[4.2.2]decane-7,9-diamine (PubChem CID 166671629) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is (1R,6S,9R)-9-N-methyl-7-azabicyclo[4.2.2]decane-7,9-diamine.

Molecular Properties

Compound Name(1R,6S,9R)-9-N-methyl-7-azabicyclo[4.2.2]decane-7,9-diamine
PubChem CID166671629
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name(1R,6S,9R)-9-N-methyl-7-azabicyclo[4.2.2]decane-7,9-diamine
SMILESCN[C@@H]1C[C@@H]2CCCC[C@@H]1CN2N
InChIInChI=1S/C10H21N3/c1-12-10-6-9-5-3-2-4-8(10)7-13(9)11/h8-10,12H,2-7,11H2,1H3/t8-,9+,10-/m1/s1
InChIKeyDVZAZWRBQFTSNI-KXUCPTDWSA-N
XLogP0.71
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.71
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 (1R,6S,9R)-9-N-methyl-7-azabicyclo[4.2.2]decane-7,9-diamine?
The IUPAC name of (1R,6S,9R)-9-N-methyl-7-azabicyclo[4.2.2]decane-7,9-diamine (CID 166671629) is (1R,6S,9R)-9-N-methyl-7-azabicyclo[4.2.2]decane-7,9-diamine.
What is the SMILES notation for (1R,6S,9R)-9-N-methyl-7-azabicyclo[4.2.2]decane-7,9-diamine?
The canonical SMILES for (1R,6S,9R)-9-N-methyl-7-azabicyclo[4.2.2]decane-7,9-diamine is CN[C@@H]1C[C@@H]2CCCC[C@@H]1CN2N.
What is the InChIKey of (1R,6S,9R)-9-N-methyl-7-azabicyclo[4.2.2]decane-7,9-diamine?
The InChIKey is DVZAZWRBQFTSNI-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H21N3/c1-12-10-6-9-5-3-2-4-8(10)7-13(9)11/h8-10,12H,2-7,11H2,1H3/t8-,9+,10-/m1/s1.
What are the key properties of (1R,6S,9R)-9-N-methyl-7-azabicyclo[4.2.2]decane-7,9-diamine?
(1R,6S,9R)-9-N-methyl-7-azabicyclo[4.2.2]decane-7,9-diamine has a molecular weight of 183.30 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,9R)-9-N-methyl-7-azabicyclo[4.2.2]decane-7,9-diamine is sourced from PubChem (CID 166671629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).