3-(1-benzyl-5-methylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;methane

C21H29N3O — CID 158883315

IUPAC3-(1-benzyl-5-methylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;methane
SMILESC.Cc1ccc2c(c1)c(OCCCN(C)C)nn2Cc1ccccc1
InChIInChI=1S/C20H25N3O.CH4/c1-16-10-11-19-18(14-16)20(24-13-7-12-22(2)3)21-23(19)15-17-8-5-4-6-9-17;/h4-6,8-11,14H,7,12-13,15H2,1-3H3;1H4
InChIKeyJDHLDTXNEXAVNZ-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.36
Rot. Bonds7

About 3-(1-benzyl-5-methylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;methane

3-(1-benzyl-5-methylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;methane (PubChem CID 158883315) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-(1-benzyl-5-methylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;methane.

Molecular Properties

Compound Name3-(1-benzyl-5-methylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;methane
PubChem CID158883315
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name3-(1-benzyl-5-methylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;methane
SMILESC.Cc1ccc2c(c1)c(OCCCN(C)C)nn2Cc1ccccc1
InChIInChI=1S/C20H25N3O.CH4/c1-16-10-11-19-18(14-16)20(24-13-7-12-22(2)3)21-23(19)15-17-8-5-4-6-9-17;/h4-6,8-11,14H,7,12-13,15H2,1-3H3;1H4
InChIKeyJDHLDTXNEXAVNZ-UHFFFAOYSA-N
XLogP4.36
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.36
H-Bond Donors ≤ 50
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 3-(1-benzyl-5-methylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;methane?
The IUPAC name of 3-(1-benzyl-5-methylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;methane (CID 158883315) is 3-(1-benzyl-5-methylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;methane.
What is the SMILES notation for 3-(1-benzyl-5-methylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;methane?
The canonical SMILES for 3-(1-benzyl-5-methylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;methane is C.Cc1ccc2c(c1)c(OCCCN(C)C)nn2Cc1ccccc1.
What is the InChIKey of 3-(1-benzyl-5-methylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;methane?
The InChIKey is JDHLDTXNEXAVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.CH4/c1-16-10-11-19-18(14-16)20(24-13-7-12-22(2)3)21-23(19)15-17-8-5-4-6-9-17;/h4-6,8-11,14H,7,12-13,15H2,1-3H3;1H4.
What are the key properties of 3-(1-benzyl-5-methylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;methane?
3-(1-benzyl-5-methylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;methane has a molecular weight of 339.48 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-5-methylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;methane is sourced from PubChem (CID 158883315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).