3-[(1-methylindazol-3-yl)methoxy]cyclohexan-1-amine

C15H21N3O — CID 79465491

IUPAC3-[(1-methylindazol-3-yl)methoxy]cyclohexan-1-amine
SMILESCn1nc(COC2CCCC(N)C2)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-18-15-8-3-2-7-13(15)14(17-18)10-19-12-6-4-5-11(16)9-12/h2-3,7-8,11-12H,4-6,9-10,16H2,1H3
InChIKeyZJPKNXFGZWIQJS-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.36
Rot. Bonds3

About 3-[(1-methylindazol-3-yl)methoxy]cyclohexan-1-amine

3-[(1-methylindazol-3-yl)methoxy]cyclohexan-1-amine (PubChem CID 79465491) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[(1-methylindazol-3-yl)methoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(1-methylindazol-3-yl)methoxy]cyclohexan-1-amine
PubChem CID79465491
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[(1-methylindazol-3-yl)methoxy]cyclohexan-1-amine
SMILESCn1nc(COC2CCCC(N)C2)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-18-15-8-3-2-7-13(15)14(17-18)10-19-12-6-4-5-11(16)9-12/h2-3,7-8,11-12H,4-6,9-10,16H2,1H3
InChIKeyZJPKNXFGZWIQJS-UHFFFAOYSA-N
XLogP2.36
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylindazol-3-yl)methoxy]cyclohexan-1-amine?
The IUPAC name of 3-[(1-methylindazol-3-yl)methoxy]cyclohexan-1-amine (CID 79465491) is 3-[(1-methylindazol-3-yl)methoxy]cyclohexan-1-amine.
What is the SMILES notation for 3-[(1-methylindazol-3-yl)methoxy]cyclohexan-1-amine?
The canonical SMILES for 3-[(1-methylindazol-3-yl)methoxy]cyclohexan-1-amine is Cn1nc(COC2CCCC(N)C2)c2ccccc21.
What is the InChIKey of 3-[(1-methylindazol-3-yl)methoxy]cyclohexan-1-amine?
The InChIKey is ZJPKNXFGZWIQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-15-8-3-2-7-13(15)14(17-18)10-19-12-6-4-5-11(16)9-12/h2-3,7-8,11-12H,4-6,9-10,16H2,1H3.
What are the key properties of 3-[(1-methylindazol-3-yl)methoxy]cyclohexan-1-amine?
3-[(1-methylindazol-3-yl)methoxy]cyclohexan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylindazol-3-yl)methoxy]cyclohexan-1-amine is sourced from PubChem (CID 79465491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).