2-(cyclopentylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine

C21H34N2S — CID 118662074

IUPAC2-(cyclopentylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2cccs2)CCC2(CCN(CC3CCCC3)C2)CC1
InChIInChI=1S/C21H34N2S/c1-22(2)21(19-8-5-15-24-19)11-9-20(10-12-21)13-14-23(17-20)16-18-6-3-4-7-18/h5,8,15,18H,3-4,6-7,9-14,16-17H2,1-2H3
InChIKeyGTWAXCUGFVQLLX-UHFFFAOYSA-N
MW346.58 g/mol
LogP4.96
Rot. Bonds4

About 2-(cyclopentylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine

2-(cyclopentylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine (PubChem CID 118662074) has the molecular formula C21H34N2S and a molecular weight of 346.58 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
PubChem CID118662074
Molecular FormulaC21H34N2S
Molecular Weight346.58 g/mol
Exact Mass346.24
IUPAC Name2-(cyclopentylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2cccs2)CCC2(CCN(CC3CCCC3)C2)CC1
InChIInChI=1S/C21H34N2S/c1-22(2)21(19-8-5-15-24-19)11-9-20(10-12-21)13-14-23(17-20)16-18-6-3-4-7-18/h5,8,15,18H,3-4,6-7,9-14,16-17H2,1-2H3
InChIKeyGTWAXCUGFVQLLX-UHFFFAOYSA-N
XLogP4.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The IUPAC name of 2-(cyclopentylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine (CID 118662074) is 2-(cyclopentylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine.
What is the SMILES notation for 2-(cyclopentylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The canonical SMILES for 2-(cyclopentylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine is CN(C)C1(c2cccs2)CCC2(CCN(CC3CCCC3)C2)CC1.
What is the InChIKey of 2-(cyclopentylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
The InChIKey is GTWAXCUGFVQLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2S/c1-22(2)21(19-8-5-15-24-19)11-9-20(10-12-21)13-14-23(17-20)16-18-6-3-4-7-18/h5,8,15,18H,3-4,6-7,9-14,16-17H2,1-2H3.
What are the key properties of 2-(cyclopentylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine?
2-(cyclopentylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine has a molecular weight of 346.58 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine is sourced from PubChem (CID 118662074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).