N-[2-[2-(3,5-dimethylthiophen-2-yl)ethoxy]ethyl]-2-methylpropan-2-amine

C14H25NOS — CID 81158117

IUPACN-[2-[2-(3,5-dimethylthiophen-2-yl)ethoxy]ethyl]-2-methylpropan-2-amine
SMILESCc1cc(C)c(CCOCCNC(C)(C)C)s1
InChIInChI=1S/C14H25NOS/c1-11-10-12(2)17-13(11)6-8-16-9-7-15-14(3,4)5/h10,15H,6-9H2,1-5H3
InChIKeySWDHHCLUQQWEGL-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.31
Rot. Bonds6

About N-[2-[2-(3,5-dimethylthiophen-2-yl)ethoxy]ethyl]-2-methylpropan-2-amine

N-[2-[2-(3,5-dimethylthiophen-2-yl)ethoxy]ethyl]-2-methylpropan-2-amine (PubChem CID 81158117) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylthiophen-2-yl)ethoxy]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylthiophen-2-yl)ethoxy]ethyl]-2-methylpropan-2-amine
PubChem CID81158117
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC NameN-[2-[2-(3,5-dimethylthiophen-2-yl)ethoxy]ethyl]-2-methylpropan-2-amine
SMILESCc1cc(C)c(CCOCCNC(C)(C)C)s1
InChIInChI=1S/C14H25NOS/c1-11-10-12(2)17-13(11)6-8-16-9-7-15-14(3,4)5/h10,15H,6-9H2,1-5H3
InChIKeySWDHHCLUQQWEGL-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylthiophen-2-yl)ethoxy]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[2-(3,5-dimethylthiophen-2-yl)ethoxy]ethyl]-2-methylpropan-2-amine (CID 81158117) is N-[2-[2-(3,5-dimethylthiophen-2-yl)ethoxy]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-(3,5-dimethylthiophen-2-yl)ethoxy]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-(3,5-dimethylthiophen-2-yl)ethoxy]ethyl]-2-methylpropan-2-amine is Cc1cc(C)c(CCOCCNC(C)(C)C)s1.
What is the InChIKey of N-[2-[2-(3,5-dimethylthiophen-2-yl)ethoxy]ethyl]-2-methylpropan-2-amine?
The InChIKey is SWDHHCLUQQWEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-11-10-12(2)17-13(11)6-8-16-9-7-15-14(3,4)5/h10,15H,6-9H2,1-5H3.
What are the key properties of N-[2-[2-(3,5-dimethylthiophen-2-yl)ethoxy]ethyl]-2-methylpropan-2-amine?
N-[2-[2-(3,5-dimethylthiophen-2-yl)ethoxy]ethyl]-2-methylpropan-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylthiophen-2-yl)ethoxy]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81158117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).