N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine

C15H26N2S — CID 62511792

IUPACN-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCc1ccc(C(C)N2CCC(CNC(C)C)C2)s1
InChIInChI=1S/C15H26N2S/c1-11(2)16-9-14-7-8-17(10-14)13(4)15-6-5-12(3)18-15/h5-6,11,13-14,16H,7-10H2,1-4H3
InChIKeyUWWNKBORAACXFX-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.44
Rot. Bonds5

About N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 62511792) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID62511792
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCc1ccc(C(C)N2CCC(CNC(C)C)C2)s1
InChIInChI=1S/C15H26N2S/c1-11(2)16-9-14-7-8-17(10-14)13(4)15-6-5-12(3)18-15/h5-6,11,13-14,16H,7-10H2,1-4H3
InChIKeyUWWNKBORAACXFX-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513257
N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240776
N-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 113387327
N-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine
CID 115306877
N-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine
CID 54953677
2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929608
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512457
3-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane
CID 64942847
N-[[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240956
1-[1-(5-methylthiophen-2-yl)ethyl]-3-propyl-1,4-diazepane
CID 64942657
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54898751
1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 62069492

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine (CID 62511792) is N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine is Cc1ccc(C(C)N2CCC(CNC(C)C)C2)s1.
What is the InChIKey of N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is UWWNKBORAACXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-11(2)16-9-14-7-8-17(10-14)13(4)15-6-5-12(3)18-15/h5-6,11,13-14,16H,7-10H2,1-4H3.
What are the key properties of N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 266.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62511792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).