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

C14H24N2OS — CID 55076067

IUPAC3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ccc(C(CN)N2CCCC2CCCO)s1
InChIInChI=1S/C14H24N2OS/c1-11-6-7-14(18-11)13(10-15)16-8-2-4-12(16)5-3-9-17/h6-7,12-13,17H,2-5,8-10,15H2,1H3
InChIKeyBZRPWHCQHVJGQZ-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.29
Rot. Bonds6

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

3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 55076067) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID55076067
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ccc(C(CN)N2CCCC2CCCO)s1
InChIInChI=1S/C14H24N2OS/c1-11-6-7-14(18-11)13(10-15)16-8-2-4-12(16)5-3-9-17/h6-7,12-13,17H,2-5,8-10,15H2,1H3
InChIKeyBZRPWHCQHVJGQZ-UHFFFAOYSA-N
XLogP2.29
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol
CID 55076018
2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 62124587
3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62469480
2-[1-(2-amino-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol
CID 55021562
[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
2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 55032386
3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 62468424
3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55075970
2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 43146839
3-[1-(4-amino-2,2-dimethylpentan-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 62467343
2-(2-cyclopentylpyrrolidin-1-yl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 62346451

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol (CID 55076067) is 3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol is Cc1ccc(C(CN)N2CCCC2CCCO)s1.
What is the InChIKey of 3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is BZRPWHCQHVJGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11-6-7-14(18-11)13(10-15)16-8-2-4-12(16)5-3-9-17/h6-7,12-13,17H,2-5,8-10,15H2,1H3.
What are the key properties of 3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 268.43 g/mol, XLogP of 2.29, 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)ethyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 55076067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).