N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine

C13H24N2 — CID 62712214

IUPACN-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESC=CCN1C2CCCC1CC(NCC)C2
InChIInChI=1S/C13H24N2/c1-3-8-15-12-6-5-7-13(15)10-11(9-12)14-4-2/h3,11-14H,1,4-10H2,2H3
InChIKeyUOQAHSVSGRZAIT-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.17
Rot. Bonds4

About N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine

N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712214) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712214
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESC=CCN1C2CCCC1CC(NCC)C2
InChIInChI=1S/C13H24N2/c1-3-8-15-12-6-5-7-13(15)10-11(9-12)14-4-2/h3,11-14H,1,4-10H2,2H3
InChIKeyUOQAHSVSGRZAIT-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712214) is N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine is C=CCN1C2CCCC1CC(NCC)C2.
What is the InChIKey of N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is UOQAHSVSGRZAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-8-15-12-6-5-7-13(15)10-11(9-12)14-4-2/h3,11-14H,1,4-10H2,2H3.
What are the key properties of N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 208.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).