N,N-dimethyl-1-[5-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-3-yl]methanamine

C21H30N4S — CID 70785801

IUPACN,N-dimethyl-1-[5-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-3-yl]methanamine
SMILESCN(C)Cc1csc(CN2CCCC23CCN(c2ccccn2)CC3)c1
InChIInChI=1S/C21H30N4S/c1-23(2)15-18-14-19(26-17-18)16-25-11-5-7-21(25)8-12-24(13-9-21)20-6-3-4-10-22-20/h3-4,6,10,14,17H,5,7-9,11-13,15-16H2,1-2H3
InChIKeyGQMYXNDXBPDZJK-UHFFFAOYSA-N
MW370.57 g/mol
LogP3.84
Rot. Bonds5

About N,N-dimethyl-1-[5-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-3-yl]methanamine

N,N-dimethyl-1-[5-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-3-yl]methanamine (PubChem CID 70785801) has the molecular formula C21H30N4S and a molecular weight of 370.57 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-3-yl]methanamine
PubChem CID70785801
Molecular FormulaC21H30N4S
Molecular Weight370.57 g/mol
Exact Mass370.22
IUPAC NameN,N-dimethyl-1-[5-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-3-yl]methanamine
SMILESCN(C)Cc1csc(CN2CCCC23CCN(c2ccccn2)CC3)c1
InChIInChI=1S/C21H30N4S/c1-23(2)15-18-14-19(26-17-18)16-25-11-5-7-21(25)8-12-24(13-9-21)20-6-3-4-10-22-20/h3-4,6,10,14,17H,5,7-9,11-13,15-16H2,1-2H3
InChIKeyGQMYXNDXBPDZJK-UHFFFAOYSA-N
XLogP3.84
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.57
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-3-yl]methanamine (CID 70785801) is N,N-dimethyl-1-[5-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-3-yl]methanamine is CN(C)Cc1csc(CN2CCCC23CCN(c2ccccn2)CC3)c1.
What is the InChIKey of N,N-dimethyl-1-[5-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-3-yl]methanamine?
The InChIKey is GQMYXNDXBPDZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4S/c1-23(2)15-18-14-19(26-17-18)16-25-11-5-7-21(25)8-12-24(13-9-21)20-6-3-4-10-22-20/h3-4,6,10,14,17H,5,7-9,11-13,15-16H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-3-yl]methanamine?
N,N-dimethyl-1-[5-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-3-yl]methanamine has a molecular weight of 370.57 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[(8-pyridin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]thiophen-3-yl]methanamine is sourced from PubChem (CID 70785801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).