N,N-dimethyl-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-8-amine

C16H26N2S — CID 118662105

IUPACN,N-dimethyl-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-8-amine
SMILESCc1ccc(C2(N(C)C)CCC3(CCNC3)CC2)s1
InChIInChI=1S/C16H26N2S/c1-13-4-5-14(19-13)16(18(2)3)8-6-15(7-9-16)10-11-17-12-15/h4-5,17H,6-12H2,1-3H3
InChIKeySBSHDNMWYXYCKQ-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.37
Rot. Bonds2

About N,N-dimethyl-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-8-amine

N,N-dimethyl-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-8-amine (PubChem CID 118662105) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N,N-dimethyl-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-8-amine
PubChem CID118662105
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN,N-dimethyl-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-8-amine
SMILESCc1ccc(C2(N(C)C)CCC3(CCNC3)CC2)s1
InChIInChI=1S/C16H26N2S/c1-13-4-5-14(19-13)16(18(2)3)8-6-15(7-9-16)10-11-17-12-15/h4-5,17H,6-12H2,1-3H3
InChIKeySBSHDNMWYXYCKQ-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 118662074
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CID 145954470
CID 145954470
CID 145954636
CID 145954636
CID 44252538
CID 44252538
CID 145953771
CID 145953771
CID 155559553
CID 155559553
CID 156602660
CID 156602660
CID 43222955
CID 43222955
CID 97928675
CID 97928675
CID 71057
CID 71057

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-8-amine?
The IUPAC name of N,N-dimethyl-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-8-amine (CID 118662105) is N,N-dimethyl-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-8-amine.
What is the SMILES notation for N,N-dimethyl-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-8-amine?
The canonical SMILES for N,N-dimethyl-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-8-amine is Cc1ccc(C2(N(C)C)CCC3(CCNC3)CC2)s1.
What is the InChIKey of N,N-dimethyl-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-8-amine?
The InChIKey is SBSHDNMWYXYCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-13-4-5-14(19-13)16(18(2)3)8-6-15(7-9-16)10-11-17-12-15/h4-5,17H,6-12H2,1-3H3.
What are the key properties of N,N-dimethyl-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-8-amine?
N,N-dimethyl-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-8-amine has a molecular weight of 278.46 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-8-amine is sourced from PubChem (CID 118662105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).