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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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).