9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine

C16H24N2 — CID 55105792

IUPAC9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(c1ccccc1)N1C2CCCC1CC(N)C2
InChIInChI=1S/C16H24N2/c1-12(13-6-3-2-4-7-13)18-15-8-5-9-16(18)11-14(17)10-15/h2-4,6-7,12,14-16H,5,8-11,17H2,1H3
InChIKeyBZCBXWJMJUXVIL-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.09
Rot. Bonds2

About 9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 55105792) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID55105792
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(c1ccccc1)N1C2CCCC1CC(N)C2
InChIInChI=1S/C16H24N2/c1-12(13-6-3-2-4-7-13)18-15-8-5-9-16(18)11-14(17)10-15/h2-4,6-7,12,14-16H,5,8-11,17H2,1H3
InChIKeyBZCBXWJMJUXVIL-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63194011
9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 63011813
8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231194
8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 70025328
2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol
CID 61231577
5-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzene-1,3-diol
CID 107707603
8-[1-(4-nitrophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61235514
8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233082
(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 10976568
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
[(1R,3S,4S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 25324057
[(1S,3S,4R)-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 102488734

Frequently Asked Questions

What is the IUPAC name of 9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 55105792) is 9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine is CC(c1ccccc1)N1C2CCCC1CC(N)C2.
What is the InChIKey of 9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is BZCBXWJMJUXVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(13-6-3-2-4-7-13)18-15-8-5-9-16(18)11-14(17)10-15/h2-4,6-7,12,14-16H,5,8-11,17H2,1H3.
What are the key properties of 9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 244.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 55105792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).