2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine

C11H23NOS — CID 112589289

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine
SMILESCC(C)(C)OCCNCC1CCCS1
InChIInChI=1S/C11H23NOS/c1-11(2,3)13-7-6-12-9-10-5-4-8-14-10/h10,12H,4-9H2,1-3H3
InChIKeyCFPSMINYNZOAEV-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.29
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine

2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine (PubChem CID 112589289) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine
PubChem CID112589289
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine
SMILESCC(C)(C)OCCNCC1CCCS1
InChIInChI=1S/C11H23NOS/c1-11(2,3)13-7-6-12-9-10-5-4-8-14-10/h10,12H,4-9H2,1-3H3
InChIKeyCFPSMINYNZOAEV-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylbutoxy)-N-(thiolan-2-ylmethyl)ethanamine
CID 80585393
3-fluoro-N-(thiolan-2-ylmethyl)propan-1-amine
CID 81106470
N-[(2-chlorocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112591784
2-(2-methoxyethylamino)-N-(thiolan-2-ylmethyl)acetamide;hydrochloride
CID 119790691
2-(thian-2-ylmethylamino)ethanol
CID 80601199
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112589102
tert-butyl N-[[(2R)-thian-2-yl]methyl]carbamate
CID 97052799
N,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide
CID 80585387
N-(thian-2-ylmethyl)hexan-1-amine
CID 80600552
(2R)-1-(thiolan-2-ylmethylamino)propan-2-ol
CID 106932334
N-(thian-2-ylmethyl)but-3-en-1-amine
CID 80600621
3-(thian-2-ylmethylamino)propanenitrile
CID 80601296

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine (CID 112589289) is 2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine is CC(C)(C)OCCNCC1CCCS1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine?
The InChIKey is CFPSMINYNZOAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-11(2,3)13-7-6-12-9-10-5-4-8-14-10/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine?
2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine has a molecular weight of 217.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-(thiolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 112589289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).