[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol

C15H26N2OS — CID 116634140

IUPAC[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol
SMILESCc1ccc(C(C(C)N)N2CCCCCC2CO)s1
InChIInChI=1S/C15H26N2OS/c1-11-7-8-14(19-11)15(12(2)16)17-9-5-3-4-6-13(17)10-18/h7-8,12-13,15,18H,3-6,9-10,16H2,1-2H3
InChIKeyAXXXFBSCEUBBNU-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.68
Rot. Bonds4

About [1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol

[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol (PubChem CID 116634140) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is [1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol
PubChem CID116634140
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol
SMILESCc1ccc(C(C(C)N)N2CCCCCC2CO)s1
InChIInChI=1S/C15H26N2OS/c1-11-7-8-14(19-11)15(12(2)16)17-9-5-3-4-6-13(17)10-18/h7-8,12-13,15,18H,3-6,9-10,16H2,1-2H3
InChIKeyAXXXFBSCEUBBNU-UHFFFAOYSA-N
XLogP2.68
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]azepan-2-yl]methanol
CID 116634141
3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol
CID 55076018
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine
CID 62886058
2-[2-amino-1-(5-methylthiophen-2-yl)propyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81098756
3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076067
[1-[2-amino-1-(2-methylphenyl)butyl]azepan-2-yl]methanol
CID 116634160
[1-[2-amino-1-(4-bromothiophen-2-yl)butyl]azepan-2-yl]methanol
CID 116634116
1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol
CID 112624537
1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 62198523
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(5-methylthiophen-2-yl)butan-2-amine
CID 82746998
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 63603641

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol?
The IUPAC name of [1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol (CID 116634140) is [1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol is Cc1ccc(C(C(C)N)N2CCCCCC2CO)s1.
What is the InChIKey of [1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol?
The InChIKey is AXXXFBSCEUBBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-11-7-8-14(19-11)15(12(2)16)17-9-5-3-4-6-13(17)10-18/h7-8,12-13,15,18H,3-6,9-10,16H2,1-2H3.
What are the key properties of [1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol?
[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol has a molecular weight of 282.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol is sourced from PubChem (CID 116634140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).