1-(1-oxaspiro[4.5]decan-2-ylmethyl)indazol-6-amine

C17H23N3O — CID 102897952

IUPAC1-(1-oxaspiro[4.5]decan-2-ylmethyl)indazol-6-amine
SMILESNc1ccc2cnn(CC3CCC4(CCCCC4)O3)c2c1
InChIInChI=1S/C17H23N3O/c18-14-5-4-13-11-19-20(16(13)10-14)12-15-6-9-17(21-15)7-2-1-3-8-17/h4-5,10-11,15H,1-3,6-9,12,18H2
InChIKeyUUBWPOCZYDRKMQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.50
Rot. Bonds2

About 1-(1-oxaspiro[4.5]decan-2-ylmethyl)indazol-6-amine

1-(1-oxaspiro[4.5]decan-2-ylmethyl)indazol-6-amine (PubChem CID 102897952) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.5]decan-2-ylmethyl)indazol-6-amine.

Molecular Properties

Compound Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)indazol-6-amine
PubChem CID102897952
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)indazol-6-amine
SMILESNc1ccc2cnn(CC3CCC4(CCCCC4)O3)c2c1
InChIInChI=1S/C17H23N3O/c18-14-5-4-13-11-19-20(16(13)10-14)12-15-6-9-17(21-15)7-2-1-3-8-17/h4-5,10-11,15H,1-3,6-9,12,18H2
InChIKeyUUBWPOCZYDRKMQ-UHFFFAOYSA-N
XLogP3.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-6-amine
CID 102897950
1-(cyclopropylmethyl)indazol-6-amine
CID 43646564
3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole
CID 102901064
3-methyl-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896191
3-chloro-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896125
3-fluoro-4-(1-oxaspiro[4.5]decan-2-ylmethylsulfanyl)aniline
CID 102898379
1-(4-fluorobutyl)indazol-6-amine
CID 124707380
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine
CID 102901200
6-(6-aminoindazol-1-yl)hexan-1-ol
CID 107703730
1-(2-phenylethyl)indazol-6-amine
CID 22693545
3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyridin-2-one
CID 102897962
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazole-4-carboxylic acid
CID 102898692

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)indazol-6-amine?
The IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)indazol-6-amine (CID 102897952) is 1-(1-oxaspiro[4.5]decan-2-ylmethyl)indazol-6-amine.
What is the SMILES notation for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)indazol-6-amine?
The canonical SMILES for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)indazol-6-amine is Nc1ccc2cnn(CC3CCC4(CCCCC4)O3)c2c1.
What is the InChIKey of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)indazol-6-amine?
The InChIKey is UUBWPOCZYDRKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-14-5-4-13-11-19-20(16(13)10-14)12-15-6-9-17(21-15)7-2-1-3-8-17/h4-5,10-11,15H,1-3,6-9,12,18H2.
What are the key properties of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)indazol-6-amine?
1-(1-oxaspiro[4.5]decan-2-ylmethyl)indazol-6-amine has a molecular weight of 285.39 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)indazol-6-amine is sourced from PubChem (CID 102897952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).