N-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine

C15H21N3O — CID 55088183

IUPACN-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCn1ncc2ccccc21)C1CCCO1
InChIInChI=1S/C15H21N3O/c1-12(15-7-4-10-19-15)16-8-9-18-14-6-3-2-5-13(14)11-17-18/h2-3,5-6,11-12,15-16H,4,7-10H2,1H3
InChIKeyZWEPRRUYRCVWRS-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.19
Rot. Bonds5

About N-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine

N-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine (PubChem CID 55088183) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine
PubChem CID55088183
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCn1ncc2ccccc21)C1CCCO1
InChIInChI=1S/C15H21N3O/c1-12(15-7-4-10-19-15)16-8-9-18-14-6-3-2-5-13(14)11-17-18/h2-3,5-6,11-12,15-16H,4,7-10H2,1H3
InChIKeyZWEPRRUYRCVWRS-UHFFFAOYSA-N
XLogP2.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62564636
5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one
CID 114397448
1-(oxolan-2-yl)-N-(2-pyridin-2-ylsulfanylethyl)ethanamine
CID 62579205
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 79183686
4-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one
CID 55152176
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 104531118
1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione
CID 62927199
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62575881
N-[2-(4,6-dichloroindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 103428056
4-indazol-1-yl-2-(propan-2-ylamino)butanenitrile
CID 63027401
N-(1-cyclopentyl-2-indazol-1-ylethyl)propan-1-amine
CID 104747505
1-propylindazole
CID 18695497

Frequently Asked Questions

What is the IUPAC name of N-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine (CID 55088183) is N-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine is CC(NCCn1ncc2ccccc21)C1CCCO1.
What is the InChIKey of N-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine?
The InChIKey is ZWEPRRUYRCVWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(15-7-4-10-19-15)16-8-9-18-14-6-3-2-5-13(14)11-17-18/h2-3,5-6,11-12,15-16H,4,7-10H2,1H3.
What are the key properties of N-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine?
N-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 55088183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).