[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol

C15H26N2OS — CID 102777725

IUPAC[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCC(N)C(c1sccc1C)N1CCC(C)C1CO
InChIInChI=1S/C15H26N2OS/c1-4-12(16)14(15-11(3)6-8-19-15)17-7-5-10(2)13(17)9-18/h6,8,10,12-14,18H,4-5,7,9,16H2,1-3H3
InChIKeyBIFMMUPERCGZEJ-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.54
Rot. Bonds5

About [1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol

[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102777725) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is [1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102777725
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCC(N)C(c1sccc1C)N1CCC(C)C1CO
InChIInChI=1S/C15H26N2OS/c1-4-12(16)14(15-11(3)6-8-19-15)17-7-5-10(2)13(17)9-18/h6,8,10,12-14,18H,4-5,7,9,16H2,1-3H3
InChIKeyBIFMMUPERCGZEJ-UHFFFAOYSA-N
XLogP2.54
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777782
2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol
CID 107227140
1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
CID 66391668
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 115558987
1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
CID 63603320
4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one
CID 64682162
1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
CID 103505344
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 82746364
[1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777829
2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol
CID 102860245
[1-(1-aminobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102778109
1-N-cyclopropyl-1-N-(3-methylbutyl)-1-(3-methylthiophen-2-yl)butane-1,2-diamine
CID 78974725

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol (CID 102777725) is [1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol is CCC(N)C(c1sccc1C)N1CCC(C)C1CO.
What is the InChIKey of [1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is BIFMMUPERCGZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-4-12(16)14(15-11(3)6-8-19-15)17-7-5-10(2)13(17)9-18/h6,8,10,12-14,18H,4-5,7,9,16H2,1-3H3.
What are the key properties of [1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 282.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102777725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).