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

C18H27N3O — CID 18447303

IUPACN-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESCCCCNC1CCCC(Oc2ccc3[nH]ncc3c2C)C1
InChIInChI=1S/C18H27N3O/c1-3-4-10-19-14-6-5-7-15(11-14)22-18-9-8-17-16(13(18)2)12-20-21-17/h8-9,12,14-15,19H,3-7,10-11H2,1-2H3,(H,20,21)
InChIKeyFIJDCJPIOFGFOQ-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.95
Rot. Bonds6

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

N-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (PubChem CID 18447303) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
PubChem CID18447303
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESCCCCNC1CCCC(Oc2ccc3[nH]ncc3c2C)C1
InChIInChI=1S/C18H27N3O/c1-3-4-10-19-14-6-5-7-15(11-14)22-18-9-8-17-16(13(18)2)12-20-21-17/h8-9,12,14-15,19H,3-7,10-11H2,1-2H3,(H,20,21)
InChIKeyFIJDCJPIOFGFOQ-UHFFFAOYSA-N
XLogP3.95
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The IUPAC name of N-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (CID 18447303) is N-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for N-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for N-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is CCCCNC1CCCC(Oc2ccc3[nH]ncc3c2C)C1.
What is the InChIKey of N-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The InChIKey is FIJDCJPIOFGFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-4-10-19-14-6-5-7-15(11-14)22-18-9-8-17-16(13(18)2)12-20-21-17/h8-9,12,14-15,19H,3-7,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
N-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine has a molecular weight of 301.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 18447303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).