N-[(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-2-yl)methyl]ethanamine

C14H23NOS — CID 81156806

IUPACN-[(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1sc(C)cc1C)C1(C)CCCO1
InChIInChI=1S/C14H23NOS/c1-5-15-13(14(4)7-6-8-16-14)12-10(2)9-11(3)17-12/h9,13,15H,5-8H2,1-4H3
InChIKeyQPRQTQGPHKFDCI-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.58
Rot. Bonds4

About N-[(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-2-yl)methyl]ethanamine

N-[(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 81156806) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-2-yl)methyl]ethanamine
PubChem CID81156806
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-[(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1sc(C)cc1C)C1(C)CCCO1
InChIInChI=1S/C14H23NOS/c1-5-15-13(14(4)7-6-8-16-14)12-10(2)9-11(3)17-12/h9,13,15H,5-8H2,1-4H3
InChIKeyQPRQTQGPHKFDCI-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-2-yl)methyl]ethanamine (CID 81156806) is N-[(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-2-yl)methyl]ethanamine is CCNC(c1sc(C)cc1C)C1(C)CCCO1.
What is the InChIKey of N-[(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is QPRQTQGPHKFDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-5-15-13(14(4)7-6-8-16-14)12-10(2)9-11(3)17-12/h9,13,15H,5-8H2,1-4H3.
What are the key properties of N-[(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-2-yl)methyl]ethanamine?
N-[(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 81156806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).