9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine

C18H26N2 — CID 115328351

IUPAC9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESC=C(CNC1CC2CCCC(C1)N2C)c1ccccc1
InChIInChI=1S/C18H26N2/c1-14(15-7-4-3-5-8-15)13-19-16-11-17-9-6-10-18(12-16)20(17)2/h3-5,7-8,16-19H,1,6,9-13H2,2H3
InChIKeyXZKILWQMRHJALQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.30
Rot. Bonds4

About 9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 115328351) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID115328351
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESC=C(CNC1CC2CCCC(C1)N2C)c1ccccc1
InChIInChI=1S/C18H26N2/c1-14(15-7-4-3-5-8-15)13-19-16-11-17-9-6-10-18(12-16)20(17)2/h3-5,7-8,16-19H,1,6,9-13H2,2H3
InChIKeyXZKILWQMRHJALQ-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 115328351) is 9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine is C=C(CNC1CC2CCCC(C1)N2C)c1ccccc1.
What is the InChIKey of 9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is XZKILWQMRHJALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-14(15-7-4-3-5-8-15)13-19-16-11-17-9-6-10-18(12-16)20(17)2/h3-5,7-8,16-19H,1,6,9-13H2,2H3.
What are the key properties of 9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 270.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(2-phenylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 115328351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).