1-propyl-2-azabicyclo[3.3.1]nonane

C11H21N — CID 10313282

IUPAC1-propyl-2-azabicyclo[3.3.1]nonane
SMILESCCCC12CCCC(CCN1)C2
InChIInChI=1S/C11H21N/c1-2-6-11-7-3-4-10(9-11)5-8-12-11/h10,12H,2-9H2,1H3
InChIKeyWIEUZAOOXJJBAQ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.71
Rot. Bonds2

About 1-propyl-2-azabicyclo[3.3.1]nonane

1-propyl-2-azabicyclo[3.3.1]nonane (PubChem CID 10313282) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-propyl-2-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1-propyl-2-azabicyclo[3.3.1]nonane
PubChem CID10313282
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-propyl-2-azabicyclo[3.3.1]nonane
SMILESCCCC12CCCC(CCN1)C2
InChIInChI=1S/C11H21N/c1-2-6-11-7-3-4-10(9-11)5-8-12-11/h10,12H,2-9H2,1H3
InChIKeyWIEUZAOOXJJBAQ-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-propyl-2-azabicyclo[3.3.1]nonane 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

3-Azabicyclo(3.3.1)nonane, hydrobromide
CID 42602
3-Azabicyclo(3.3.1)nonane, 3-butyl-, hydrobromide
CID 59647
3-Azabicyclo(3.3.1)nonane, 3-methyl-, hydrobromide
CID 59649
3-Azabicyclo[3.3.1]nonane
CID 42603
8,8,10,10-Tetramethyl-1-azaspiro(5.5)undecane
CID 10125162
2-Azabicyclo(3.3.1)nonane
CID 12312973
3-Azabicyclo(3.3.1)nonan-1-amine, 5,7,7-trimethyl-
CID 106925
(1R,5R)-2-azabicyclo[3.3.1]nonane
CID 93513744
2-Azabicyclo[3.3.1]nonane, (1R,5R)-rel-
CID 55298694
(1S,5R)-2-azabicyclo[3.3.1]nonane
CID 98594770
rac-(1R,5S)-2-azabicyclo[3.3.1]nonane
CID 98594771
3-Azabicyclo[3.3.1]nonan-hydrobromid
CID 129656002

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-azabicyclo[3.3.1]nonane?
The IUPAC name of 1-propyl-2-azabicyclo[3.3.1]nonane (CID 10313282) is 1-propyl-2-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 1-propyl-2-azabicyclo[3.3.1]nonane?
The canonical SMILES for 1-propyl-2-azabicyclo[3.3.1]nonane is CCCC12CCCC(CCN1)C2.
What is the InChIKey of 1-propyl-2-azabicyclo[3.3.1]nonane?
The InChIKey is WIEUZAOOXJJBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-6-11-7-3-4-10(9-11)5-8-12-11/h10,12H,2-9H2,1H3.
What are the key properties of 1-propyl-2-azabicyclo[3.3.1]nonane?
1-propyl-2-azabicyclo[3.3.1]nonane has a molecular weight of 167.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 10313282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).