2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine

C16H23N3O — CID 104999436

IUPAC2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCn1nc(CC(N)C2COC(C)C2)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-3-19-16-7-5-4-6-13(16)15(18-19)9-14(17)12-8-11(2)20-10-12/h4-7,11-12,14H,3,8-10,17H2,1-2H3
InChIKeyYXZMJJOFYYIDPR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.35
Rot. Bonds4

About 2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine

2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine (PubChem CID 104999436) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine
PubChem CID104999436
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCn1nc(CC(N)C2COC(C)C2)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-3-19-16-7-5-4-6-13(16)15(18-19)9-14(17)12-8-11(2)20-10-12/h4-7,11-12,14H,3,8-10,17H2,1-2H3
InChIKeyYXZMJJOFYYIDPR-UHFFFAOYSA-N
XLogP2.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092614
4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346080
2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 104999362
1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol
CID 79087674
2-(1-ethylimidazol-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 105009554
3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 114825914
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 104999342
1-[(1-ethylindazol-3-yl)methyl]cyclopropan-1-amine
CID 66025770
1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657
4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443594
4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol
CID 115813749

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine (CID 104999436) is 2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine is CCn1nc(CC(N)C2COC(C)C2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine?
The InChIKey is YXZMJJOFYYIDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-19-16-7-5-4-6-13(16)15(18-19)9-14(17)12-8-11(2)20-10-12/h4-7,11-12,14H,3,8-10,17H2,1-2H3.
What are the key properties of 2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine?
2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 104999436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).