3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol

C15H26N2OS — CID 55076018

IUPAC3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ccc(C(C(C)N)N2CCCC2CCCO)s1
InChIInChI=1S/C15H26N2OS/c1-11-7-8-14(19-11)15(12(2)16)17-9-3-5-13(17)6-4-10-18/h7-8,12-13,15,18H,3-6,9-10,16H2,1-2H3
InChIKeyZYQMDPXURXVPQZ-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.68
Rot. Bonds6

About 3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 55076018) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID55076018
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ccc(C(C(C)N)N2CCCC2CCCO)s1
InChIInChI=1S/C15H26N2OS/c1-11-7-8-14(19-11)15(12(2)16)17-9-3-5-13(17)6-4-10-18/h7-8,12-13,15,18H,3-6,9-10,16H2,1-2H3
InChIKeyZYQMDPXURXVPQZ-UHFFFAOYSA-N
XLogP2.68
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076067
[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol
CID 116634140
3-[1-[2-amino-1-(5-methylfuran-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62467339
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine
CID 62886058
[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]azepan-2-yl]methanol
CID 116634141
3-[1-(4-amino-2,2-dimethylpentan-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 62467343
3-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 62468935
1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 62198523
3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol
CID 62469479
2-[2-amino-1-(5-methylthiophen-2-yl)propyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81098756
3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55075970
1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol
CID 112624537

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol (CID 55076018) is 3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol is Cc1ccc(C(C(C)N)N2CCCC2CCCO)s1.
What is the InChIKey of 3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is ZYQMDPXURXVPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-11-7-8-14(19-11)15(12(2)16)17-9-3-5-13(17)6-4-10-18/h7-8,12-13,15,18H,3-6,9-10,16H2,1-2H3.
What are the key properties of 3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 282.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 55076018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).