N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine

C12H16N2S — CID 66397715

IUPACN-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1ccn(C)c1)c1ccsc1
InChIInChI=1S/C12H16N2S/c1-10(12-4-6-15-9-12)13-7-11-3-5-14(2)8-11/h3-6,8-10,13H,7H2,1-2H3
InChIKeyDDQPCXRZLTYOOS-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.94
Rot. Bonds4

About N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine

N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 66397715) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine
PubChem CID66397715
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1ccn(C)c1)c1ccsc1
InChIInChI=1S/C12H16N2S/c1-10(12-4-6-15-9-12)13-7-11-3-5-14(2)8-11/h3-6,8-10,13H,7H2,1-2H3
InChIKeyDDQPCXRZLTYOOS-UHFFFAOYSA-N
XLogP2.94
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399983
1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66398996
N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine
CID 65479418
1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 66399003
1-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 53274741
4-[(1-thiophen-3-ylethylamino)methyl]benzene-1,2-diol
CID 62840100
N-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine
CID 126798588
N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 66399758
[4-[1-[(1-methylpyrrol-3-yl)methylamino]ethyl]phenyl]urea
CID 66398981
N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66406782
N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide
CID 75382887
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 79579433

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine (CID 66397715) is N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine is CC(NCc1ccn(C)c1)c1ccsc1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is DDQPCXRZLTYOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-10(12-4-6-15-9-12)13-7-11-3-5-14(2)8-11/h3-6,8-10,13H,7H2,1-2H3.
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine?
N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 220.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 66397715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).