2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine

C13H18N2S — CID 79100998

IUPAC2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine
SMILESCc1ccsc1C(C)Nn1c(C)ccc1C
InChIInChI=1S/C13H18N2S/c1-9-7-8-16-13(9)12(4)14-15-10(2)5-6-11(15)3/h5-8,12,14H,1-4H3
InChIKeyMQCBAJHQTBKTMU-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.78
Rot. Bonds3

About 2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine

2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine (PubChem CID 79100998) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine
PubChem CID79100998
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine
SMILESCc1ccsc1C(C)Nn1c(C)ccc1C
InChIInChI=1S/C13H18N2S/c1-9-7-8-16-13(9)12(4)14-15-10(2)5-6-11(15)3/h5-8,12,14H,1-4H3
InChIKeyMQCBAJHQTBKTMU-UHFFFAOYSA-N
XLogP3.78
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrrol-1-amine
CID 79091110
N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 63992990
N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine
CID 82709754
N-[1-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine
CID 115916926
1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 63993264
N-[1-(3-methylthiophen-2-yl)ethyl]cyclopentanamine
CID 63992992
N-[1-(3-methylthiophen-2-yl)ethyl]cyclopent-3-en-1-amine
CID 115728439
N,3-dimethyl-2-(3-methylthiophen-2-yl)butan-1-amine
CID 83831443
2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol
CID 104860527
N-[1-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 63993041
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine
CID 82946292

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine?
The IUPAC name of 2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine (CID 79100998) is 2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine?
The canonical SMILES for 2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine is Cc1ccsc1C(C)Nn1c(C)ccc1C.
What is the InChIKey of 2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine?
The InChIKey is MQCBAJHQTBKTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-9-7-8-16-13(9)12(4)14-15-10(2)5-6-11(15)3/h5-8,12,14H,1-4H3.
What are the key properties of 2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine?
2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine has a molecular weight of 234.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine is sourced from PubChem (CID 79100998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).