2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine

C14H23N3S — CID 79174673

IUPAC2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine
SMILESCN1C2CCC1CN(C(CN)c1cccs1)CC2
InChIInChI=1S/C14H23N3S/c1-16-11-4-5-12(16)10-17(7-6-11)13(9-15)14-3-2-8-18-14/h2-3,8,11-13H,4-7,9-10,15H2,1H3
InChIKeyUWJGJQAAYNGQBG-UHFFFAOYSA-N
MW265.43 g/mol
LogP1.92
Rot. Bonds3

About 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine

2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine (PubChem CID 79174673) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine
PubChem CID79174673
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine
SMILESCN1C2CCC1CN(C(CN)c1cccs1)CC2
InChIInChI=1S/C14H23N3S/c1-16-11-4-5-12(16)10-17(7-6-11)13(9-15)14-3-2-8-18-14/h2-3,8,11-13H,4-7,9-10,15H2,1H3
InChIKeyUWJGJQAAYNGQBG-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine with MolForge

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Related Compounds

2-(4-bromothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79175202
1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol
CID 62941144
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine
CID 79175124
(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 7127651
2-(4-fluorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79175047
2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol
CID 114797177
2-(3-fluorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174272
2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79166030
2-pyrrolidin-1-yl-2-thiophen-2-ylethanamine
CID 3733262
(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine
CID 9079352
2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 103569678
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine (CID 79174673) is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine is CN1C2CCC1CN(C(CN)c1cccs1)CC2.
What is the InChIKey of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine?
The InChIKey is UWJGJQAAYNGQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-16-11-4-5-12(16)10-17(7-6-11)13(9-15)14-3-2-8-18-14/h2-3,8,11-13H,4-7,9-10,15H2,1H3.
What are the key properties of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine?
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine has a molecular weight of 265.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 79174673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).