2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine

C15H25N3S — CID 63171808

IUPAC2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESCc1ccsc1C(CN)N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H25N3S/c1-12-5-9-19-15(12)14(10-16)18-8-4-13(11-18)17-6-2-3-7-17/h5,9,13-14H,2-4,6-8,10-11,16H2,1H3
InChIKeyCDIGZMWMOYICLB-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.23
Rot. Bonds4

About 2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine

2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine (PubChem CID 63171808) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
PubChem CID63171808
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESCc1ccsc1C(CN)N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H25N3S/c1-12-5-9-19-15(12)14(10-16)18-8-4-13(11-18)17-6-2-3-7-17/h5,9,13-14H,2-4,6-8,10-11,16H2,1H3
InChIKeyCDIGZMWMOYICLB-UHFFFAOYSA-N
XLogP2.23
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 79941110
2-(4-cyclopropylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 61440431
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol
CID 62942981
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 113335529
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 81198317
2-(3-bromothiophen-2-yl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
CID 115380442
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194728
2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 55160318
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(2-methylphenyl)ethanamine
CID 79940900
2-[4-(methoxymethyl)piperidin-1-yl]-2-(3-methylthiophen-2-yl)ethanamine
CID 63972078
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine
CID 79916476
2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 66472651

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine (CID 63171808) is 2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine is Cc1ccsc1C(CN)N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The InChIKey is CDIGZMWMOYICLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-12-5-9-19-15(12)14(10-16)18-8-4-13(11-18)17-6-2-3-7-17/h5,9,13-14H,2-4,6-8,10-11,16H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine has a molecular weight of 279.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 63171808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).