N-[(4,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

C11H16N2S — CID 79503146

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1cc(CNC2=NCCC2)sc1C
InChIInChI=1S/C11H16N2S/c1-8-6-10(14-9(8)2)7-13-11-4-3-5-12-11/h6H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyWQWWVXBBOLLKLV-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.65
Rot. Bonds2

About N-[(4,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79503146) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79503146
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1cc(CNC2=NCCC2)sc1C
InChIInChI=1S/C11H16N2S/c1-8-6-10(14-9(8)2)7-13-11-4-3-5-12-11/h6H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyWQWWVXBBOLLKLV-UHFFFAOYSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dihydro-2-(3-methyl-2-thienyl)-1H-imidazole
CID 14964720
N-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 12280903
N-(3-thiophen-2-ylbutan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 12280919
N-[phenyl(thiophen-2-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
CID 12280934
N-[phenyl(thiophen-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 12280936
N-[phenyl(thiophen-2-yl)methyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride
CID 12280938
N-[phenyl(thiophen-2-yl)methyl]-1-azacyclotridecen-2-amine;hydrochloride
CID 12280940
2-(5-phenylthiophen-2-yl)-4,5-dihydro-1H-imidazole
CID 16082799
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2,3-dimethylguanidine
CID 132283383
N-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 2123623
N-[phenyl(thiophen-2-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 12280935
N-[phenyl(thiophen-2-yl)methyl]-1-azacyclotridecen-2-amine
CID 12280939

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 79503146) is N-[(4,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine is Cc1cc(CNC2=NCCC2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is WQWWVXBBOLLKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-8-6-10(14-9(8)2)7-13-11-4-3-5-12-11/h6H,3-5,7H2,1-2H3,(H,12,13).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 208.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79503146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).