N-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine

C15H22N2S — CID 114196068

IUPACN-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
SMILESCc1c(CNC(C)C)ccn1CCc1cccs1
InChIInChI=1S/C15H22N2S/c1-12(2)16-11-14-6-8-17(13(14)3)9-7-15-5-4-10-18-15/h4-6,8,10,12,16H,7,9,11H2,1-3H3
InChIKeyNUIHQDIVNCDFOJ-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.60
Rot. Bonds6

About N-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine

N-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine (PubChem CID 114196068) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
PubChem CID114196068
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
SMILESCc1c(CNC(C)C)ccn1CCc1cccs1
InChIInChI=1S/C15H22N2S/c1-12(2)16-11-14-6-8-17(13(14)3)9-7-15-5-4-10-18-15/h4-6,8,10,12,16H,7,9,11H2,1-3H3
InChIKeyNUIHQDIVNCDFOJ-UHFFFAOYSA-N
XLogP3.60
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66405552
N-[[1-(3,3-dimethylbutyl)-2-methylpyrrol-3-yl]methyl]propan-2-amine
CID 114196075
N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine
CID 79488921
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 43527749
N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63326619
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]ethanamine
CID 63773737
N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556484
4-methyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyridin-2-one
CID 62987494
2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole
CID 82132226
1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone
CID 79106807

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine (CID 114196068) is N-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine is Cc1c(CNC(C)C)ccn1CCc1cccs1.
What is the InChIKey of N-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine?
The InChIKey is NUIHQDIVNCDFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-12(2)16-11-14-6-8-17(13(14)3)9-7-15-5-4-10-18-15/h4-6,8,10,12,16H,7,9,11H2,1-3H3.
What are the key properties of N-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine?
N-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine has a molecular weight of 262.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114196068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).