8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine

C13H20N2S — CID 61233082

IUPAC8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(c1cccs1)N1C2CCC1CC(N)C2
InChIInChI=1S/C13H20N2S/c1-9(13-3-2-6-16-13)15-11-4-5-12(15)8-10(14)7-11/h2-3,6,9-12H,4-5,7-8,14H2,1H3
InChIKeyVTVMMCNSAABJNK-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.76
Rot. Bonds2

About 8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61233082) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61233082
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(c1cccs1)N1C2CCC1CC(N)C2
InChIInChI=1S/C13H20N2S/c1-9(13-3-2-6-16-13)15-11-4-5-12(15)8-10(14)7-11/h2-3,6,9-12H,4-5,7-8,14H2,1H3
InChIKeyVTVMMCNSAABJNK-UHFFFAOYSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

(3S)-1-[(1S)-1-thiophen-2-ylethyl]pyrrolidin-3-amine
CID 93316384
2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol
CID 61231577
9-(1-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105792
8-methyl-N-[(1R)-1-thiophen-2-ylethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 81398172
1,3,5-tris(1-thiophen-2-ylethyl)-1,3,5-triazinane
CID 68714918
[1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol
CID 97175553
4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408620
1-cyclopropyl-5-methyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidin-3-amine
CID 113491658
8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231194
1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine
CID 79469682
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
N-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-amine;hydrochloride
CID 71642773

Frequently Asked Questions

What is the IUPAC name of 8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61233082) is 8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine is CC(c1cccs1)N1C2CCC1CC(N)C2.
What is the InChIKey of 8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is VTVMMCNSAABJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-9(13-3-2-6-16-13)15-11-4-5-12(15)8-10(14)7-11/h2-3,6,9-12H,4-5,7-8,14H2,1H3.
What are the key properties of 8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 236.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61233082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).