9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine

C17H26N2 — CID 63011813

IUPAC9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(Cc1ccccc1)N1C2CCCC1CC(N)C2
InChIInChI=1S/C17H26N2/c1-13(10-14-6-3-2-4-7-14)19-16-8-5-9-17(19)12-15(18)11-16/h2-4,6-7,13,15-17H,5,8-12,18H2,1H3
InChIKeyCGQVFKOOIOFYHX-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.96
Rot. Bonds3

About 9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 63011813) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID63011813
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(Cc1ccccc1)N1C2CCCC1CC(N)C2
InChIInChI=1S/C17H26N2/c1-13(10-14-6-3-2-4-7-14)19-16-8-5-9-17(19)12-15(18)11-16/h2-4,6-7,13,15-17H,5,8-12,18H2,1H3
InChIKeyCGQVFKOOIOFYHX-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105792
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 138376241
9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 53408523
9-octan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713835
(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 162446493
8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63194011
8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231194
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
3-amino-1-(1-phenylpropan-2-yl)pyrrolidin-2-one
CID 63012641
3-methyl-2-(1-phenylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79938960
9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712555

Frequently Asked Questions

What is the IUPAC name of 9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 63011813) is 9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine is CC(Cc1ccccc1)N1C2CCCC1CC(N)C2.
What is the InChIKey of 9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is CGQVFKOOIOFYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(10-14-6-3-2-4-7-14)19-16-8-5-9-17(19)12-15(18)11-16/h2-4,6-7,13,15-17H,5,8-12,18H2,1H3.
What are the key properties of 9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 258.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 63011813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).