2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine

C15H24N2S — CID 114279581

IUPAC2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1csc(CNCCN2CCC3(CCCC3)C2)c1
InChIInChI=1S/C15H24N2S/c1-2-6-15(5-1)7-9-17(13-15)10-8-16-12-14-4-3-11-18-14/h3-4,11,16H,1-2,5-10,12-13H2
InChIKeyWEPBWWFZVIGVSV-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.10
Rot. Bonds5

About 2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine

2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 114279581) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID114279581
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1csc(CNCCN2CCC3(CCCC3)C2)c1
InChIInChI=1S/C15H24N2S/c1-2-6-15(5-1)7-9-17(13-15)10-8-16-12-14-4-3-11-18-14/h3-4,11,16H,1-2,5-10,12-13H2
InChIKeyWEPBWWFZVIGVSV-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxy-3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 107395657
3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28657357
2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane
CID 82038614
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 79924900
N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine
CID 60695335
N-[(1-methylcyclohexyl)methyl]-1-thiophen-2-ylmethanamine
CID 103753045
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103992175
N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 65286429
1-[(thiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934542
N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine
CID 81469991
2-[[6-azaspiro[3.4]octan-6-yl-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110046950

Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine (CID 114279581) is 2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine is c1csc(CNCCN2CCC3(CCCC3)C2)c1.
What is the InChIKey of 2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is WEPBWWFZVIGVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-2-6-15(5-1)7-9-17(13-15)10-8-16-12-14-4-3-11-18-14/h3-4,11,16H,1-2,5-10,12-13H2.
What are the key properties of 2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine?
2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 264.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 114279581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).