9-azabicyclo[3.3.1]nonane-1,5-diamine

C8H17N3 — CID 147344899

IUPAC9-azabicyclo[3.3.1]nonane-1,5-diamine
SMILESNC12CCCC(N)(CCC1)N2
InChIInChI=1S/C8H17N3/c9-7-3-1-4-8(10,11-7)6-2-5-7/h11H,1-6,9-10H2
InChIKeyDEFSWVKSEAXHRD-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.25
Rot. Bonds

About 9-azabicyclo[3.3.1]nonane-1,5-diamine

9-azabicyclo[3.3.1]nonane-1,5-diamine (PubChem CID 147344899) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 9-azabicyclo[3.3.1]nonane-1,5-diamine.

Molecular Properties

Compound Name9-azabicyclo[3.3.1]nonane-1,5-diamine
PubChem CID147344899
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name9-azabicyclo[3.3.1]nonane-1,5-diamine
SMILESNC12CCCC(N)(CCC1)N2
InChIInChI=1S/C8H17N3/c9-7-3-1-4-8(10,11-7)6-2-5-7/h11H,1-6,9-10H2
InChIKeyDEFSWVKSEAXHRD-UHFFFAOYSA-N
XLogP0.25
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

piperidine-2,2,6,6-tetramine
CID 158380817
1-aminocyclobutan-1-ol;hydrochloride
CID 135146045
1-methylcyclobutan-1-amine;hydrochloride
CID 18332449
bicyclo[3.1.1]heptane-1,5-diamine;dihydrochloride
CID 131886465
1-methylsulfonylcycloheptan-1-amine
CID 62473091
1-(2,2-difluoroethyl)cyclobutan-1-amine
CID 115011284
CID 70372398
CID 70372398
1-[(4-fluorophenyl)methyl]cyclobutan-1-amine;hydrochloride
CID 86277096
bis(cyclodecane);cyclodecane-1,1-diamine
CID 22325955
1,5-dimethyl-8-azabicyclo[3.2.1]octane;methane
CID 156844634
magnesium;2,2,6,6-tetramethylpiperidine;chloride
CID 173066007
(1-aminocyclopentyl)methanol
CID 157241161

Frequently Asked Questions

What is the IUPAC name of 9-azabicyclo[3.3.1]nonane-1,5-diamine?
The IUPAC name of 9-azabicyclo[3.3.1]nonane-1,5-diamine (CID 147344899) is 9-azabicyclo[3.3.1]nonane-1,5-diamine.
What is the SMILES notation for 9-azabicyclo[3.3.1]nonane-1,5-diamine?
The canonical SMILES for 9-azabicyclo[3.3.1]nonane-1,5-diamine is NC12CCCC(N)(CCC1)N2.
What is the InChIKey of 9-azabicyclo[3.3.1]nonane-1,5-diamine?
The InChIKey is DEFSWVKSEAXHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c9-7-3-1-4-8(10,11-7)6-2-5-7/h11H,1-6,9-10H2.
What are the key properties of 9-azabicyclo[3.3.1]nonane-1,5-diamine?
9-azabicyclo[3.3.1]nonane-1,5-diamine has a molecular weight of 155.24 g/mol, XLogP of 0.25, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azabicyclo[3.3.1]nonane-1,5-diamine is sourced from PubChem (CID 147344899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).