N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-7-amine

C16H21N3O — CID 65295054

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-7-amine
SMILESCCOC1CC(Nc2cccc3cn[nH]c23)C12CCC2
InChIInChI=1S/C16H21N3O/c1-2-20-14-9-13(16(14)7-4-8-16)18-12-6-3-5-11-10-17-19-15(11)12/h3,5-6,10,13-14,18H,2,4,7-9H2,1H3,(H,17,19)
InChIKeyDERWPOSHVYAUQQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.32
Rot. Bonds4

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-7-amine

N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-7-amine (PubChem CID 65295054) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-7-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-7-amine
PubChem CID65295054
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-7-amine
SMILESCCOC1CC(Nc2cccc3cn[nH]c23)C12CCC2
InChIInChI=1S/C16H21N3O/c1-2-20-14-9-13(16(14)7-4-8-16)18-12-6-3-5-11-10-17-19-15(11)12/h3,5-6,10,13-14,18H,2,4,7-9H2,1H3,(H,17,19)
InChIKeyDERWPOSHVYAUQQ-UHFFFAOYSA-N
XLogP3.32
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine
CID 65295489
N-(2,3-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295132
3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65295229
3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65294378
3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine
CID 64864038
3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295180
N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 103478585
N-[2-(difluoromethylsulfanyl)phenyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295421
N-(3-ethoxyspiro[3.5]nonan-1-yl)pyridin-3-amine
CID 65170359
N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186
N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295516
3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295079

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-7-amine?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-7-amine (CID 65295054) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-7-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-7-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-7-amine is CCOC1CC(Nc2cccc3cn[nH]c23)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-7-amine?
The InChIKey is DERWPOSHVYAUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-20-14-9-13(16(14)7-4-8-16)18-12-6-3-5-11-10-17-19-15(11)12/h3,5-6,10,13-14,18H,2,4,7-9H2,1H3,(H,17,19).
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-7-amine?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-7-amine has a molecular weight of 271.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-7-amine is sourced from PubChem (CID 65295054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).