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

C17H26N2 — CID 55105936

IUPACN-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CCc1ccccc1
InChIInChI=1S/C17H26N2/c1-18-15-12-16-8-5-9-17(13-15)19(16)11-10-14-6-3-2-4-7-14/h2-4,6-7,15-18H,5,8-13H2,1H3
InChIKeySBXPXJSRAKEUFA-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.83
Rot. Bonds4

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

N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 55105936) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID55105936
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CCc1ccccc1
InChIInChI=1S/C17H26N2/c1-18-15-12-16-8-5-9-17(13-15)19(16)11-10-14-6-3-2-4-7-14/h2-4,6-7,15-18H,5,8-13H2,1H3
InChIKeySBXPXJSRAKEUFA-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 55105936) is N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2CCc1ccccc1.
What is the InChIKey of N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is SBXPXJSRAKEUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-18-15-12-16-8-5-9-17(13-15)19(16)11-10-14-6-3-2-4-7-14/h2-4,6-7,15-18H,5,8-13H2,1H3.
What are the key properties of N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 258.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 55105936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).