N-(2-methylpropoxy)-1-thiophen-2-ylethanamine

C10H17NOS — CID 82709088

IUPACN-(2-methylpropoxy)-1-thiophen-2-ylethanamine
SMILESCC(C)CONC(C)c1cccs1
InChIInChI=1S/C10H17NOS/c1-8(2)7-12-11-9(3)10-5-4-6-13-10/h4-6,8-9,11H,7H2,1-3H3
InChIKeyBDACEPVMLYOLQK-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.99
Rot. Bonds5

About N-(2-methylpropoxy)-1-thiophen-2-ylethanamine

N-(2-methylpropoxy)-1-thiophen-2-ylethanamine (PubChem CID 82709088) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1-thiophen-2-ylethanamine
PubChem CID82709088
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC NameN-(2-methylpropoxy)-1-thiophen-2-ylethanamine
SMILESCC(C)CONC(C)c1cccs1
InChIInChI=1S/C10H17NOS/c1-8(2)7-12-11-9(3)10-5-4-6-13-10/h4-6,8-9,11H,7H2,1-3H3
InChIKeyBDACEPVMLYOLQK-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.99
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

2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine
CID 82710610
(1R)-N-methoxy-1-thiophen-2-ylethanamine
CID 124574743
1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine
CID 115889318
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323
N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine
CID 82720685
1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408465
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
1-methoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 81399226
2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine
CID 43104723
1-thiophen-2-ylethylhydrazine
CID 18071025
2-methylpropyl N-(2-oxo-1-thiophen-2-ylethyl)carbamate
CID 54409433
2,2-dimethyl-3-(2-methylpropoxy)-N-[(1S)-1-thiophen-2-ylethyl]cyclobutan-1-amine
CID 81398534

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1-thiophen-2-ylethanamine?
The IUPAC name of N-(2-methylpropoxy)-1-thiophen-2-ylethanamine (CID 82709088) is N-(2-methylpropoxy)-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-(2-methylpropoxy)-1-thiophen-2-ylethanamine?
The canonical SMILES for N-(2-methylpropoxy)-1-thiophen-2-ylethanamine is CC(C)CONC(C)c1cccs1.
What is the InChIKey of N-(2-methylpropoxy)-1-thiophen-2-ylethanamine?
The InChIKey is BDACEPVMLYOLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-8(2)7-12-11-9(3)10-5-4-6-13-10/h4-6,8-9,11H,7H2,1-3H3.
What are the key properties of N-(2-methylpropoxy)-1-thiophen-2-ylethanamine?
N-(2-methylpropoxy)-1-thiophen-2-ylethanamine has a molecular weight of 199.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 82709088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).