2-methyl-3-thiophen-3-ylpropan-1-amine

C8H13NS — CID 62505176

IUPAC2-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCC(CN)Cc1ccsc1
InChIInChI=1S/C8H13NS/c1-7(5-9)4-8-2-3-10-6-8/h2-3,6-7H,4-5,9H2,1H3
InChIKeyQKZRAMOHQWLCFE-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.89
Rot. Bonds3

About 2-methyl-3-thiophen-3-ylpropan-1-amine

2-methyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 62505176) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-methyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-thiophen-3-ylpropan-1-amine
PubChem CID62505176
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCC(CN)Cc1ccsc1
InChIInChI=1S/C8H13NS/c1-7(5-9)4-8-2-3-10-6-8/h2-3,6-7H,4-5,9H2,1H3
InChIKeyQKZRAMOHQWLCFE-UHFFFAOYSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(thiophen-3-ylmethyl)butan-1-amine
CID 62503668
3-(4-bromo-2-methylpentyl)thiophene
CID 64721699
4-methyl-5-thiophen-3-ylpentan-2-ol
CID 64719896
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
3-(2-fluoropropyl)thiophene
CID 74766003
2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine
CID 81079572
N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62530694
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
3-(2-ethylbutyl)thiophene
CID 89133993
3-methoxy-1-thiophen-3-ylbutan-2-amine
CID 79616789

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 2-methyl-3-thiophen-3-ylpropan-1-amine (CID 62505176) is 2-methyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 2-methyl-3-thiophen-3-ylpropan-1-amine is CC(CN)Cc1ccsc1.
What is the InChIKey of 2-methyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is QKZRAMOHQWLCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-7(5-9)4-8-2-3-10-6-8/h2-3,6-7H,4-5,9H2,1H3.
What are the key properties of 2-methyl-3-thiophen-3-ylpropan-1-amine?
2-methyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 155.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 62505176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).