9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine

C15H24N2S — CID 65472914

IUPAC9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(NC1CC2CCCC(C1)N2C)c1ccsc1
InChIInChI=1S/C15H24N2S/c1-11(12-6-7-18-10-12)16-13-8-14-4-3-5-15(9-13)17(14)2/h6-7,10-11,13-16H,3-5,8-9H2,1-2H3
InChIKeyUXYMMJVHJITTJW-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.41
Rot. Bonds3

About 9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65472914) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65472914
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(NC1CC2CCCC(C1)N2C)c1ccsc1
InChIInChI=1S/C15H24N2S/c1-11(12-6-7-18-10-12)16-13-8-14-4-3-5-15(9-13)17(14)2/h6-7,10-11,13-16H,3-5,8-9H2,1-2H3
InChIKeyUXYMMJVHJITTJW-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5R)-9-methyl-N-[(1S)-1-(3,4,5-trifluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 97323060
trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol
CID 102733418
3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine
CID 115897266
9-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471234
2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine
CID 104585287
N-[1-(3-chloro-4-fluorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471798
8-methyl-N-[(1R)-1-thiophen-2-ylethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 81398172
4-propyl-N-(1-thiophen-3-ylethyl)cyclohexan-1-amine
CID 63454289
9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472551
3-[1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]ethyl]benzonitrile
CID 65471212
N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471035
1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62841839

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 65472914) is 9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine is CC(NC1CC2CCCC(C1)N2C)c1ccsc1.
What is the InChIKey of 9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is UXYMMJVHJITTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-11(12-6-7-18-10-12)16-13-8-14-4-3-5-15(9-13)17(14)2/h6-7,10-11,13-16H,3-5,8-9H2,1-2H3.
What are the key properties of 9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 264.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65472914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).