3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine

C14H24N2S — CID 79068401

IUPAC3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine
SMILESCCC(C)(C(N)Cc1cccs1)N1CCCC1
InChIInChI=1S/C14H24N2S/c1-3-14(2,16-8-4-5-9-16)13(15)11-12-7-6-10-17-12/h6-7,10,13H,3-5,8-9,11,15H2,1-2H3
InChIKeyXRHIJQVAYMWGPL-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.88
Rot. Bonds5

About 3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine

3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine (PubChem CID 79068401) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound Name3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine
PubChem CID79068401
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine
SMILESCCC(C)(C(N)Cc1cccs1)N1CCCC1
InChIInChI=1S/C14H24N2S/c1-3-14(2,16-8-4-5-9-16)13(15)11-12-7-6-10-17-12/h6-7,10,13H,3-5,8-9,11,15H2,1-2H3
InChIKeyXRHIJQVAYMWGPL-UHFFFAOYSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine?
The IUPAC name of 3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine (CID 79068401) is 3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for 3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine?
The canonical SMILES for 3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine is CCC(C)(C(N)Cc1cccs1)N1CCCC1.
What is the InChIKey of 3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine?
The InChIKey is XRHIJQVAYMWGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-14(2,16-8-4-5-9-16)13(15)11-12-7-6-10-17-12/h6-7,10,13H,3-5,8-9,11,15H2,1-2H3.
What are the key properties of 3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine?
3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine has a molecular weight of 252.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 79068401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).