5-methyl-N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)thiophen-2-amine

C16H22N2S2 — CID 134926788

IUPAC5-methyl-N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)thiophen-2-amine
SMILESCc1ccc(N(CCN2CCCC2)Cc2cccs2)s1
InChIInChI=1S/C16H22N2S2/c1-14-6-7-16(20-14)18(13-15-5-4-12-19-15)11-10-17-8-2-3-9-17/h4-7,12H,2-3,8-11,13H2,1H3
InChIKeyAAVDYQSLJQGAQS-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.22
Rot. Bonds6

About 5-methyl-N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)thiophen-2-amine

5-methyl-N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)thiophen-2-amine (PubChem CID 134926788) has the molecular formula C16H22N2S2 and a molecular weight of 306.50 g/mol. Its IUPAC name is 5-methyl-N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)thiophen-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)thiophen-2-amine
PubChem CID134926788
Molecular FormulaC16H22N2S2
Molecular Weight306.50 g/mol
Exact Mass306.12
IUPAC Name5-methyl-N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)thiophen-2-amine
SMILESCc1ccc(N(CCN2CCCC2)Cc2cccs2)s1
InChIInChI=1S/C16H22N2S2/c1-14-6-7-16(20-14)18(13-15-5-4-12-19-15)11-10-17-8-2-3-9-17/h4-7,12H,2-3,8-11,13H2,1H3
InChIKeyAAVDYQSLJQGAQS-UHFFFAOYSA-N
XLogP4.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[5-(dimethylamino)thiophen-2-yl]methyl]-N,N-dimethylthiophen-2-amine
CID 60148937
5,5'-(ethane-1,2-diyl)bis(N,N-dimethylthiophen-2-amine)
CID 60148938
Wcqyttmwurmeep-uhfffaoysa-
CID 15517269
(2Z)-2-[[5-(dimethylamino)thiophen-1-ium-2-id-2-yl]methylidene]-N,N-dimethyl-3H-thiophen-3-id-5-amine
CID 177865497
5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine
CID 134884378
N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)aniline
CID 134926463
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine
CID 134927554
Fxirktfhqvrgfd-uhfffaoysa-
CID 15517263
Ihogcfyhulhwrl-uhfffaoysa-
CID 15517264
N,N-dimethyl-5-thiophen-2-ylthiophen-2-amine
CID 10013326
1-(5-Methylthiophen-2-yl)pyrrolidine
CID 18338310
5-methyl-N,N-bis(prop-2-enyl)thiophen-2-amine
CID 18338376

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)thiophen-2-amine?
The IUPAC name of 5-methyl-N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)thiophen-2-amine (CID 134926788) is 5-methyl-N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)thiophen-2-amine.
What is the SMILES notation for 5-methyl-N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)thiophen-2-amine?
The canonical SMILES for 5-methyl-N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)thiophen-2-amine is Cc1ccc(N(CCN2CCCC2)Cc2cccs2)s1.
What is the InChIKey of 5-methyl-N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)thiophen-2-amine?
The InChIKey is AAVDYQSLJQGAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S2/c1-14-6-7-16(20-14)18(13-15-5-4-12-19-15)11-10-17-8-2-3-9-17/h4-7,12H,2-3,8-11,13H2,1H3.
What are the key properties of 5-methyl-N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)thiophen-2-amine?
5-methyl-N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)thiophen-2-amine has a molecular weight of 306.50 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)thiophen-2-amine is sourced from PubChem (CID 134926788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).