3,9-diazabicyclo[3.3.1]nonan-9-amine

C7H15N3 — CID 155383691

IUPAC3,9-diazabicyclo[3.3.1]nonan-9-amine
SMILESNN1C2CCCC1CNC2
InChIInChI=1S/C7H15N3/c8-10-6-2-1-3-7(10)5-9-4-6/h6-7,9H,1-5,8H2
InChIKeyGKTOTTIJAGCFPF-UHFFFAOYSA-N
MW141.22 g/mol
LogP-0.31
Rot. Bonds

About 3,9-diazabicyclo[3.3.1]nonan-9-amine

3,9-diazabicyclo[3.3.1]nonan-9-amine (PubChem CID 155383691) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 3,9-diazabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound Name3,9-diazabicyclo[3.3.1]nonan-9-amine
PubChem CID155383691
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name3,9-diazabicyclo[3.3.1]nonan-9-amine
SMILESNN1C2CCCC1CNC2
InChIInChI=1S/C7H15N3/c8-10-6-2-1-3-7(10)5-9-4-6/h6-7,9H,1-5,8H2
InChIKeyGKTOTTIJAGCFPF-UHFFFAOYSA-N
XLogP-0.31
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,9-diazabicyclo[3.3.1]nonan-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-3,9-diazabicyclo[3.3.1]nonane
CID 18911
3,9-diazabicyclo[3.3.1]nonane-9-carboxylic acid
CID 69144531
6,8-diazabicyclo[3.2.2]nonan-6-amine
CID 137488680
(1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
CID 75360754
9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
CID 78149814
3,8-diazabicyclo[3.2.1]octan-8-ylphosphane
CID 167294099
7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane
CID 130915029
5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213126
(3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol
CID 122237052
1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine
CID 66201031
1-(azetidin-3-yl)-4-[3-(trifluoromethyl)cyclohexyl]piperazine
CID 66203283
9-cyclobutyl-9-azabicyclo[3.3.1]nonane
CID 23151237

Frequently Asked Questions

What is the IUPAC name of 3,9-diazabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of 3,9-diazabicyclo[3.3.1]nonan-9-amine (CID 155383691) is 3,9-diazabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for 3,9-diazabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for 3,9-diazabicyclo[3.3.1]nonan-9-amine is NN1C2CCCC1CNC2.
What is the InChIKey of 3,9-diazabicyclo[3.3.1]nonan-9-amine?
The InChIKey is GKTOTTIJAGCFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c8-10-6-2-1-3-7(10)5-9-4-6/h6-7,9H,1-5,8H2.
What are the key properties of 3,9-diazabicyclo[3.3.1]nonan-9-amine?
3,9-diazabicyclo[3.3.1]nonan-9-amine has a molecular weight of 141.22 g/mol, XLogP of -0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 155383691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).