1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine

C15H23N3O2 — CID 103184311

IUPAC1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine
SMILESCNCc1nn(CCOCCCOC)c2ccccc12
InChIInChI=1S/C15H23N3O2/c1-16-12-14-13-6-3-4-7-15(13)18(17-14)8-11-20-10-5-9-19-2/h3-4,6-7,16H,5,8-12H2,1-2H3
InChIKeyYLWUGVUQLBUKCA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.81
Rot. Bonds9

About 1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine

1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine (PubChem CID 103184311) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine
PubChem CID103184311
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine
SMILESCNCc1nn(CCOCCCOC)c2ccccc12
InChIInChI=1S/C15H23N3O2/c1-16-12-14-13-6-3-4-7-15(13)18(17-14)8-11-20-10-5-9-19-2/h3-4,6-7,16H,5,8-12H2,1-2H3
InChIKeyYLWUGVUQLBUKCA-UHFFFAOYSA-N
XLogP1.81
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine
CID 106458306
N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine
CID 106458301
N-[(1-ethylindazol-3-yl)methyl]-5-methoxypentan-1-amine
CID 104878924
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine
CID 106731962
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine
CID 65165688
4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 63001587
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine
CID 103015728
1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718210
[1-(3-ethoxypropyl)indazol-3-yl]methanamine
CID 65177727
1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine
CID 114934339
1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 103181719

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine (CID 103184311) is 1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine is CNCc1nn(CCOCCCOC)c2ccccc12.
What is the InChIKey of 1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine?
The InChIKey is YLWUGVUQLBUKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-16-12-14-13-6-3-4-7-15(13)18(17-14)8-11-20-10-5-9-19-2/h3-4,6-7,16H,5,8-12H2,1-2H3.
What are the key properties of 1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine?
1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine has a molecular weight of 277.37 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 103184311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).