N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine

C17H25N3O2 — CID 18447379

IUPACN-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESCOCCNC1CCCC(Oc2ccc3[nH]ncc3c2C)C1
InChIInChI=1S/C17H25N3O2/c1-12-15-11-19-20-16(15)6-7-17(12)22-14-5-3-4-13(10-14)18-8-9-21-2/h6-7,11,13-14,18H,3-5,8-10H2,1-2H3,(H,19,20)
InChIKeyZGFGASCIBLCDLR-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.80
Rot. Bonds6

About N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine

N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (PubChem CID 18447379) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
PubChem CID18447379
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESCOCCNC1CCCC(Oc2ccc3[nH]ncc3c2C)C1
InChIInChI=1S/C17H25N3O2/c1-12-15-11-19-20-16(15)6-7-17(12)22-14-5-3-4-13(10-14)18-8-9-21-2/h6-7,11,13-14,18H,3-5,8-10H2,1-2H3,(H,19,20)
InChIKeyZGFGASCIBLCDLR-UHFFFAOYSA-N
XLogP2.80
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (CID 18447379) is N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is COCCNC1CCCC(Oc2ccc3[nH]ncc3c2C)C1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The InChIKey is ZGFGASCIBLCDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-15-11-19-20-16(15)6-7-17(12)22-14-5-3-4-13(10-14)18-8-9-21-2/h6-7,11,13-14,18H,3-5,8-10H2,1-2H3,(H,19,20).
What are the key properties of N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine has a molecular weight of 303.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 18447379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).