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

C14H26N2 — CID 62712215

IUPAC9-prop-2-enyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESC=CCN1C2CCCC1CC(NCCC)C2
InChIInChI=1S/C14H26N2/c1-3-8-15-12-10-13-6-5-7-14(11-12)16(13)9-4-2/h4,12-15H,2-3,5-11H2,1H3
InChIKeyCYTMFACEFNCVAL-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.56
Rot. Bonds5

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

9-prop-2-enyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712215) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 9-prop-2-enyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-prop-2-enyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712215
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name9-prop-2-enyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESC=CCN1C2CCCC1CC(NCCC)C2
InChIInChI=1S/C14H26N2/c1-3-8-15-12-10-13-6-5-7-14(11-12)16(13)9-4-2/h4,12-15H,2-3,5-11H2,1H3
InChIKeyCYTMFACEFNCVAL-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-prop-2-enyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-prop-2-enyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712215) is 9-prop-2-enyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-prop-2-enyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-prop-2-enyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is C=CCN1C2CCCC1CC(NCCC)C2.
What is the InChIKey of 9-prop-2-enyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is CYTMFACEFNCVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-3-8-15-12-10-13-6-5-7-14(11-12)16(13)9-4-2/h4,12-15H,2-3,5-11H2,1H3.
What are the key properties of 9-prop-2-enyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-prop-2-enyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 222.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-enyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).