(3,4-dimethyl-1-thiophen-2-ylpyrrolidin-3-yl)methanamine

C11H18N2S — CID 130562606

IUPAC(3,4-dimethyl-1-thiophen-2-ylpyrrolidin-3-yl)methanamine
SMILESCC1CN(c2cccs2)CC1(C)CN
InChIInChI=1S/C11H18N2S/c1-9-6-13(8-11(9,2)7-12)10-4-3-5-14-10/h3-5,9H,6-8,12H2,1-2H3
InChIKeyCCUVAUWOHWBZSC-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.17
Rot. Bonds2

About (3,4-dimethyl-1-thiophen-2-ylpyrrolidin-3-yl)methanamine

(3,4-dimethyl-1-thiophen-2-ylpyrrolidin-3-yl)methanamine (PubChem CID 130562606) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is (3,4-dimethyl-1-thiophen-2-ylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethyl-1-thiophen-2-ylpyrrolidin-3-yl)methanamine
PubChem CID130562606
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name(3,4-dimethyl-1-thiophen-2-ylpyrrolidin-3-yl)methanamine
SMILESCC1CN(c2cccs2)CC1(C)CN
InChIInChI=1S/C11H18N2S/c1-9-6-13(8-11(9,2)7-12)10-4-3-5-14-10/h3-5,9H,6-8,12H2,1-2H3
InChIKeyCCUVAUWOHWBZSC-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-1-thiophen-2-ylpyrrolidin-3-yl)methanamine?
The IUPAC name of (3,4-dimethyl-1-thiophen-2-ylpyrrolidin-3-yl)methanamine (CID 130562606) is (3,4-dimethyl-1-thiophen-2-ylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (3,4-dimethyl-1-thiophen-2-ylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (3,4-dimethyl-1-thiophen-2-ylpyrrolidin-3-yl)methanamine is CC1CN(c2cccs2)CC1(C)CN.
What is the InChIKey of (3,4-dimethyl-1-thiophen-2-ylpyrrolidin-3-yl)methanamine?
The InChIKey is CCUVAUWOHWBZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9-6-13(8-11(9,2)7-12)10-4-3-5-14-10/h3-5,9H,6-8,12H2,1-2H3.
What are the key properties of (3,4-dimethyl-1-thiophen-2-ylpyrrolidin-3-yl)methanamine?
(3,4-dimethyl-1-thiophen-2-ylpyrrolidin-3-yl)methanamine has a molecular weight of 210.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-1-thiophen-2-ylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 130562606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).