4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride

C16H24ClN3O2 — CID 18447270

IUPAC4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride
SMILESCCCOc1c(OC2CCC(N)CC2)ccc2[nH]ncc12.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-2-9-20-16-13-10-18-19-14(13)7-8-15(16)21-12-5-3-11(17)4-6-12;/h7-8,10-12H,2-6,9,17H2,1H3,(H,18,19);1H
InChIKeyAMVWUADZJSCIBF-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.42
Rot. Bonds5

About 4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride

4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride (PubChem CID 18447270) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride
PubChem CID18447270
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride
SMILESCCCOc1c(OC2CCC(N)CC2)ccc2[nH]ncc12.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-2-9-20-16-13-10-18-19-14(13)7-8-15(16)21-12-5-3-11(17)4-6-12;/h7-8,10-12H,2-6,9,17H2,1H3,(H,18,19);1H
InChIKeyAMVWUADZJSCIBF-UHFFFAOYSA-N
XLogP3.42
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride (CID 18447270) is 4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride is CCCOc1c(OC2CCC(N)CC2)ccc2[nH]ncc12.Cl.
What is the InChIKey of 4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride?
The InChIKey is AMVWUADZJSCIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-2-9-20-16-13-10-18-19-14(13)7-8-15(16)21-12-5-3-11(17)4-6-12;/h7-8,10-12H,2-6,9,17H2,1H3,(H,18,19);1H.
What are the key properties of 4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride?
4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 18447270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).