1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine

C11H14N2S — CID 66399003

IUPAC1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCn1ccc(CNCc2ccsc2)c1
InChIInChI=1S/C11H14N2S/c1-13-4-2-10(8-13)6-12-7-11-3-5-14-9-11/h2-5,8-9,12H,6-7H2,1H3
InChIKeyJZDMPWFONUMOTN-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.38
Rot. Bonds4

About 1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine

1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 66399003) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine
PubChem CID66399003
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCn1ccc(CNCc2ccsc2)c1
InChIInChI=1S/C11H14N2S/c1-13-4-2-10(8-13)6-12-7-11-3-5-14-9-11/h2-5,8-9,12H,6-7H2,1H3
InChIKeyJZDMPWFONUMOTN-UHFFFAOYSA-N
XLogP2.38
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66397930
N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 66397715
2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 130478299
N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66397712
1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 63001646
1-methyl-4-[(thiophen-3-ylmethylamino)methyl]pyrrole-2-carbonitrile
CID 103203285
1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 55027547
N-[(1-methylpyrrol-3-yl)methyl]prop-2-en-1-amine
CID 66399137
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626535
1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 60976741
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66400598
1-(6-methyl-3-pyridinyl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine
CID 66398571

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine (CID 66399003) is 1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine is Cn1ccc(CNCc2ccsc2)c1.
What is the InChIKey of 1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is JZDMPWFONUMOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-13-4-2-10(8-13)6-12-7-11-3-5-14-9-11/h2-5,8-9,12H,6-7H2,1H3.
What are the key properties of 1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine?
1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 206.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 66399003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).