1-prop-2-enyl-2-azabicyclo[3.3.1]nonane

C11H19N — CID 174538475

IUPAC1-prop-2-enyl-2-azabicyclo[3.3.1]nonane
SMILESC=CCC12CCCC(CCN1)C2
InChIInChI=1S/C11H19N/c1-2-6-11-7-3-4-10(9-11)5-8-12-11/h2,10,12H,1,3-9H2
InChIKeyDHBWAWKRCNTEDU-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.48
Rot. Bonds2

About 1-prop-2-enyl-2-azabicyclo[3.3.1]nonane

1-prop-2-enyl-2-azabicyclo[3.3.1]nonane (PubChem CID 174538475) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-prop-2-enyl-2-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1-prop-2-enyl-2-azabicyclo[3.3.1]nonane
PubChem CID174538475
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-prop-2-enyl-2-azabicyclo[3.3.1]nonane
SMILESC=CCC12CCCC(CCN1)C2
InChIInChI=1S/C11H19N/c1-2-6-11-7-3-4-10(9-11)5-8-12-11/h2,10,12H,1,3-9H2
InChIKeyDHBWAWKRCNTEDU-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R)-1-ethenyl-2-prop-2-enyl-2-azoniabicyclo[3.3.1]nonane
CID 146162197
6-Prop-2-enyl-3-azabicyclo[3.3.1]nonane
CID 69171506
1-Prop-2-enyl-3-azabicyclo[3.3.1]nonane
CID 69329919
7-Methylidene-2-azabicyclo[3.3.1]nonane
CID 137540700
3-(3-Ethenylcyclohexyl)piperidine;molecular hydrogen
CID 141766624
6-Prop-2-enyl-2-azabicyclo[3.3.1]nonane
CID 174423271
3-methyl-N-(2-piperazin-1-ylethyl)-1-prop-2-enylcyclohexan-1-amine
CID 4711926
3-methyl-N-pentyl-1-prop-2-enylcyclohexan-1-amine
CID 4711975
3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine
CID 4712374
(4R,5R)-2,2,4-trimethyl-6-methylidene-3-azabicyclo[3.3.1]nonane
CID 6710285
(4R,5R)-2,2-dimethyl-6-methylidene-4-(2-methylpropyl)-3-azabicyclo[3.3.1]nonane
CID 6710287
(1S,5S)-1-ethenyl-2-prop-2-enyl-2-azoniabicyclo[3.3.1]nonane chloride
CID 11736309

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2-azabicyclo[3.3.1]nonane?
The IUPAC name of 1-prop-2-enyl-2-azabicyclo[3.3.1]nonane (CID 174538475) is 1-prop-2-enyl-2-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 1-prop-2-enyl-2-azabicyclo[3.3.1]nonane?
The canonical SMILES for 1-prop-2-enyl-2-azabicyclo[3.3.1]nonane is C=CCC12CCCC(CCN1)C2.
What is the InChIKey of 1-prop-2-enyl-2-azabicyclo[3.3.1]nonane?
The InChIKey is DHBWAWKRCNTEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-6-11-7-3-4-10(9-11)5-8-12-11/h2,10,12H,1,3-9H2.
What are the key properties of 1-prop-2-enyl-2-azabicyclo[3.3.1]nonane?
1-prop-2-enyl-2-azabicyclo[3.3.1]nonane has a molecular weight of 165.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 174538475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).