3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine

C17H27N3O — CID 116717506

IUPAC3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine
SMILESCCCC(OCC)C(N)Cc1nn(CC)c2ccccc12
InChIInChI=1S/C17H27N3O/c1-4-9-17(21-6-3)14(18)12-15-13-10-7-8-11-16(13)20(5-2)19-15/h7-8,10-11,14,17H,4-6,9,12,18H2,1-3H3
InChIKeyFKHYKPHDNYGMQF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.13
Rot. Bonds8

About 3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine

3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine (PubChem CID 116717506) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine
PubChem CID116717506
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine
SMILESCCCC(OCC)C(N)Cc1nn(CC)c2ccccc12
InChIInChI=1S/C17H27N3O/c1-4-9-17(21-6-3)14(18)12-15-13-10-7-8-11-16(13)20(5-2)19-15/h7-8,10-11,14,17H,4-6,9,12,18H2,1-3H3
InChIKeyFKHYKPHDNYGMQF-UHFFFAOYSA-N
XLogP3.13
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(chloromethyl)pentyl]-1-ethylindazole
CID 66036339
[4-ethoxy-1-(1-ethylindazol-3-yl)butan-2-yl]hydrazine
CID 105317245
3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol
CID 116711328
4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346080
3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092614
4-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116608024
3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine
CID 116717615
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
1-(2-bromophenyl)-3-ethoxyhexan-2-amine
CID 116717551
2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol
CID 66059172

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine?
The IUPAC name of 3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine (CID 116717506) is 3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine?
The canonical SMILES for 3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine is CCCC(OCC)C(N)Cc1nn(CC)c2ccccc12.
What is the InChIKey of 3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine?
The InChIKey is FKHYKPHDNYGMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-9-17(21-6-3)14(18)12-15-13-10-7-8-11-16(13)20(5-2)19-15/h7-8,10-11,14,17H,4-6,9,12,18H2,1-3H3.
What are the key properties of 3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine?
3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine is sourced from PubChem (CID 116717506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).