N-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine

C14H19N3OS — CID 62567422

IUPACN-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine
SMILESc1csc(-c2nccn2CCNCC2CCOC2)c1
InChIInChI=1S/C14H19N3OS/c1-2-13(19-9-1)14-16-5-7-17(14)6-4-15-10-12-3-8-18-11-12/h1-2,5,7,9,12,15H,3-4,6,8,10-11H2
InChIKeyUHPDDAZABRJLCV-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.24
Rot. Bonds6

About N-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine

N-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine (PubChem CID 62567422) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine
PubChem CID62567422
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine
SMILESc1csc(-c2nccn2CCNCC2CCOC2)c1
InChIInChI=1S/C14H19N3OS/c1-2-13(19-9-1)14-16-5-7-17(14)6-4-15-10-12-3-8-18-11-12/h1-2,5,7,9,12,15H,3-4,6,8,10-11H2
InChIKeyUHPDDAZABRJLCV-UHFFFAOYSA-N
XLogP2.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine
CID 62567030
3-[2-(oxolan-3-ylmethylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 62564708
N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine
CID 62565929
1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole
CID 115917906
3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine
CID 62358053
2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62562885
6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 113353810
4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one
CID 62986607
1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole
CID 114476766
1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole
CID 62371626
2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole
CID 155912420
1-(6-chlorohexyl)-2-thiophen-2-ylimidazole
CID 55053624

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine (CID 62567422) is N-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine is c1csc(-c2nccn2CCNCC2CCOC2)c1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine?
The InChIKey is UHPDDAZABRJLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-13(19-9-1)14-16-5-7-17(14)6-4-15-10-12-3-8-18-11-12/h1-2,5,7,9,12,15H,3-4,6,8,10-11H2.
What are the key properties of N-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine?
N-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine has a molecular weight of 277.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine is sourced from PubChem (CID 62567422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).