2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol

C15H25NOS — CID 79052267

IUPAC2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccc(C(O)C(C)(C)N2CCCCCC2)s1
InChIInChI=1S/C15H25NOS/c1-12-8-9-13(18-12)14(17)15(2,3)16-10-6-4-5-7-11-16/h8-9,14,17H,4-7,10-11H2,1-3H3
InChIKeyPAYGHJLFVGUDLC-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.74
Rot. Bonds3

About 2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol

2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol (PubChem CID 79052267) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol
PubChem CID79052267
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccc(C(O)C(C)(C)N2CCCCCC2)s1
InChIInChI=1S/C15H25NOS/c1-12-8-9-13(18-12)14(17)15(2,3)16-10-6-4-5-7-11-16/h8-9,14,17H,4-7,10-11H2,1-3H3
InChIKeyPAYGHJLFVGUDLC-UHFFFAOYSA-N
XLogP3.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine
CID 79044961
[2-methyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpropyl]hydrazine
CID 105239553
2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol
CID 79044854
1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-ol
CID 107128539
2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol
CID 79045471
1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 79056202
2-(azepan-1-yl)-2-methyl-1-pyrimidin-5-ylpropan-1-ol
CID 79051209
2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol
CID 79045835
2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol
CID 79051966
N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79068315
N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide
CID 113226653
3-(azepan-1-yl)-3-(5-methylthiophen-2-yl)propanoic acid
CID 64527523

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of 2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol (CID 79052267) is 2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol is Cc1ccc(C(O)C(C)(C)N2CCCCCC2)s1.
What is the InChIKey of 2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol?
The InChIKey is PAYGHJLFVGUDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12-8-9-13(18-12)14(17)15(2,3)16-10-6-4-5-7-11-16/h8-9,14,17H,4-7,10-11H2,1-3H3.
What are the key properties of 2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol?
2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 79052267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).