N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine

C10H17NOS — CID 82720685

IUPACN-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine
SMILESCC(NOC(C)(C)C)c1cccs1
InChIInChI=1S/C10H17NOS/c1-8(9-6-5-7-13-9)11-12-10(2,3)4/h5-8,11H,1-4H3
InChIKeyWQVUCPPHCQCYBF-UHFFFAOYSA-N
MW199.32 g/mol
LogP3.13
Rot. Bonds3

About N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine

N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine (PubChem CID 82720685) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine
PubChem CID82720685
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine
SMILESCC(NOC(C)(C)C)c1cccs1
InChIInChI=1S/C10H17NOS/c1-8(9-6-5-7-13-9)11-12-10(2,3)4/h5-8,11H,1-4H3
InChIKeyWQVUCPPHCQCYBF-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-methoxy-1-thiophen-2-ylethanamine
CID 124574743
tert-butyl N-(1-thiophen-2-ylethyl)carbamate
CID 63788673
N-(2-methylpropoxy)-1-thiophen-2-ylethanamine
CID 82709088
tert-butyl 2-(1-thiophen-2-ylethylamino)propanoate
CID 64686931
2-[(2-methylpropan-2-yl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 103940581
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287
1-thiophen-2-ylethylhydrazine
CID 18071025
2-[(2-methylpropan-2-yl)oxyamino]-1-thiophen-2-ylethanol
CID 82724870
tert-butyl 4-oxo-4-(1-thiophen-2-ylethylamino)butanoate
CID 106707023
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
tert-butyl 2-thiophen-2-ylpropanoate
CID 66337067

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine (CID 82720685) is N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine is CC(NOC(C)(C)C)c1cccs1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine?
The InChIKey is WQVUCPPHCQCYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-8(9-6-5-7-13-9)11-12-10(2,3)4/h5-8,11H,1-4H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine?
N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine has a molecular weight of 199.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 82720685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).