3-methyl-1-thiophen-3-ylbutan-2-amine

C9H15NS — CID 61079756

IUPAC3-methyl-1-thiophen-3-ylbutan-2-amine
SMILESCC(C)C(N)Cc1ccsc1
InChIInChI=1S/C9H15NS/c1-7(2)9(10)5-8-3-4-11-6-8/h3-4,6-7,9H,5,10H2,1-2H3
InChIKeyMMMFKRYBDKVRGW-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.27
Rot. Bonds3

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

3-methyl-1-thiophen-3-ylbutan-2-amine (PubChem CID 61079756) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 3-methyl-1-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1-thiophen-3-ylbutan-2-amine
PubChem CID61079756
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name3-methyl-1-thiophen-3-ylbutan-2-amine
SMILESCC(C)C(N)Cc1ccsc1
InChIInChI=1S/C9H15NS/c1-7(2)9(10)5-8-3-4-11-6-8/h3-4,6-7,9H,5,10H2,1-2H3
InChIKeyMMMFKRYBDKVRGW-UHFFFAOYSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-thiophen-3-ylbutan-2-amine
CID 79616789
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
3-cyclopropyl-1-thiophen-3-ylbutan-2-amine
CID 83155210
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62505176
3-(2-fluoropropyl)thiophene
CID 74766003
4-amino-5-methyl-1-thiophen-3-ylhexan-2-one
CID 116606372
4-methyl-1-thiophen-3-ylpentane-2,3-diol
CID 103456677
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
3-(propan-2-yloxymethyl)thiophene
CID 146745191
3-(2-ethylbutyl)thiophene
CID 89133993

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-thiophen-3-ylbutan-2-amine?
The IUPAC name of 3-methyl-1-thiophen-3-ylbutan-2-amine (CID 61079756) is 3-methyl-1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 3-methyl-1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 3-methyl-1-thiophen-3-ylbutan-2-amine is CC(C)C(N)Cc1ccsc1.
What is the InChIKey of 3-methyl-1-thiophen-3-ylbutan-2-amine?
The InChIKey is MMMFKRYBDKVRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-7(2)9(10)5-8-3-4-11-6-8/h3-4,6-7,9H,5,10H2,1-2H3.
What are the key properties of 3-methyl-1-thiophen-3-ylbutan-2-amine?
3-methyl-1-thiophen-3-ylbutan-2-amine has a molecular weight of 169.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 61079756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).