3-cyclopropyl-1-thiophen-3-ylbutan-2-amine

C11H17NS — CID 83155210

IUPAC3-cyclopropyl-1-thiophen-3-ylbutan-2-amine
SMILESCC(C(N)Cc1ccsc1)C1CC1
InChIInChI=1S/C11H17NS/c1-8(10-2-3-10)11(12)6-9-4-5-13-7-9/h4-5,7-8,10-11H,2-3,6,12H2,1H3
InChIKeyJJOBBBNQSWROQI-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.66
Rot. Bonds4

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

3-cyclopropyl-1-thiophen-3-ylbutan-2-amine (PubChem CID 83155210) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3-cyclopropyl-1-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-thiophen-3-ylbutan-2-amine
PubChem CID83155210
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3-cyclopropyl-1-thiophen-3-ylbutan-2-amine
SMILESCC(C(N)Cc1ccsc1)C1CC1
InChIInChI=1S/C11H17NS/c1-8(10-2-3-10)11(12)6-9-4-5-13-7-9/h4-5,7-8,10-11H,2-3,6,12H2,1H3
InChIKeyJJOBBBNQSWROQI-UHFFFAOYSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-1-thiophen-3-ylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine
CID 65423218
3-methoxy-1-thiophen-3-ylbutan-2-amine
CID 79616789
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine
CID 83155125
1-(2-ethylcyclohexyl)-2-thiophen-3-ylethanamine
CID 105151200
1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine
CID 115769840
1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine
CID 116722043
N-methyl-1-(3-methylcyclopentyl)-2-thiophen-3-ylethanamine
CID 65413967
2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62505176
2-cyclopentyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 112569789
3-(2-fluoropropyl)thiophene
CID 74766003

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-thiophen-3-ylbutan-2-amine?
The IUPAC name of 3-cyclopropyl-1-thiophen-3-ylbutan-2-amine (CID 83155210) is 3-cyclopropyl-1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 3-cyclopropyl-1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 3-cyclopropyl-1-thiophen-3-ylbutan-2-amine is CC(C(N)Cc1ccsc1)C1CC1.
What is the InChIKey of 3-cyclopropyl-1-thiophen-3-ylbutan-2-amine?
The InChIKey is JJOBBBNQSWROQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-8(10-2-3-10)11(12)6-9-4-5-13-7-9/h4-5,7-8,10-11H,2-3,6,12H2,1H3.
What are the key properties of 3-cyclopropyl-1-thiophen-3-ylbutan-2-amine?
3-cyclopropyl-1-thiophen-3-ylbutan-2-amine has a molecular weight of 195.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 83155210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).