N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine

C21H31N3OS — CID 3062730

IUPACN-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCC(C)COCC(CN(Cc1cccs1)c1ccccn1)N1CCCC1
InChIInChI=1S/C21H31N3OS/c1-18(2)16-25-17-19(23-11-5-6-12-23)14-24(15-20-8-7-13-26-20)21-9-3-4-10-22-21/h3-4,7-10,13,18-19H,5-6,11-12,14-17H2,1-2H3
InChIKeyTWPUCFIMMXOAFE-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.29
Rot. Bonds10

About N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine

N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 3062730) has the molecular formula C21H31N3OS and a molecular weight of 373.57 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID3062730
Molecular FormulaC21H31N3OS
Molecular Weight373.57 g/mol
Exact Mass373.22
IUPAC NameN-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCC(C)COCC(CN(Cc1cccs1)c1ccccn1)N1CCCC1
InChIInChI=1S/C21H31N3OS/c1-18(2)16-25-17-19(23-11-5-6-12-23)14-24(15-20-8-7-13-26-20)21-9-3-4-10-22-21/h3-4,7-10,13,18-19H,5-6,11-12,14-17H2,1-2H3
InChIKeyTWPUCFIMMXOAFE-UHFFFAOYSA-N
XLogP4.29
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 3062730) is N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine is CC(C)COCC(CN(Cc1cccs1)c1ccccn1)N1CCCC1.
What is the InChIKey of N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is TWPUCFIMMXOAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3OS/c1-18(2)16-25-17-19(23-11-5-6-12-23)14-24(15-20-8-7-13-26-20)21-9-3-4-10-22-21/h3-4,7-10,13,18-19H,5-6,11-12,14-17H2,1-2H3.
What are the key properties of N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine?
N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 373.57 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 3062730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).