3-(5-cyclopropylthiophen-2-yl)-N,N-dimethylpropan-1-amine

C12H19NS — CID 121013800

IUPAC3-(5-cyclopropylthiophen-2-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(C2CC2)s1
InChIInChI=1S/C12H19NS/c1-13(2)9-3-4-11-7-8-12(14-11)10-5-6-10/h7-8,10H,3-6,9H2,1-2H3
InChIKeyWMAQRCVNYHAOGO-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.12
Rot. Bonds5

About 3-(5-cyclopropylthiophen-2-yl)-N,N-dimethylpropan-1-amine

3-(5-cyclopropylthiophen-2-yl)-N,N-dimethylpropan-1-amine (PubChem CID 121013800) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 3-(5-cyclopropylthiophen-2-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-cyclopropylthiophen-2-yl)-N,N-dimethylpropan-1-amine
PubChem CID121013800
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name3-(5-cyclopropylthiophen-2-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(C2CC2)s1
InChIInChI=1S/C12H19NS/c1-13(2)9-3-4-11-7-8-12(14-11)10-5-6-10/h7-8,10H,3-6,9H2,1-2H3
InChIKeyWMAQRCVNYHAOGO-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropylthiophen-2-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5-cyclopropylthiophen-2-yl)-N,N-dimethylpropan-1-amine (CID 121013800) is 3-(5-cyclopropylthiophen-2-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-cyclopropylthiophen-2-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-cyclopropylthiophen-2-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccc(C2CC2)s1.
What is the InChIKey of 3-(5-cyclopropylthiophen-2-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is WMAQRCVNYHAOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-13(2)9-3-4-11-7-8-12(14-11)10-5-6-10/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 3-(5-cyclopropylthiophen-2-yl)-N,N-dimethylpropan-1-amine?
3-(5-cyclopropylthiophen-2-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropylthiophen-2-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 121013800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).