1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine

C14H22N2S — CID 65246233

IUPAC1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cc(CNC2CCN(C3CC3)C2)sc1C
InChIInChI=1S/C14H22N2S/c1-10-7-14(17-11(10)2)8-15-12-5-6-16(9-12)13-3-4-13/h7,12-13,15H,3-6,8-9H2,1-2H3
InChIKeyIPYISYQHBJLVGH-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.69
Rot. Bonds4

About 1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine

1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 65246233) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine
PubChem CID65246233
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cc(CNC2CCN(C3CC3)C2)sc1C
InChIInChI=1S/C14H22N2S/c1-10-7-14(17-11(10)2)8-15-12-5-6-16(9-12)13-3-4-13/h7,12-13,15H,3-6,8-9H2,1-2H3
InChIKeyIPYISYQHBJLVGH-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine (CID 65246233) is 1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine is Cc1cc(CNC2CCN(C3CC3)C2)sc1C.
What is the InChIKey of 1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is IPYISYQHBJLVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-7-14(17-11(10)2)8-15-12-5-6-16(9-12)13-3-4-13/h7,12-13,15H,3-6,8-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine?
1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 250.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 65246233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).