4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine

C14H21N3O — CID 103128359

IUPAC4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine
SMILESCNC(CCCOC)c1nn(C)c2ccccc12
InChIInChI=1S/C14H21N3O/c1-15-12(8-6-10-18-3)14-11-7-4-5-9-13(11)17(2)16-14/h4-5,7,9,12,15H,6,8,10H2,1-3H3
InChIKeyWSKXLFJPINHURJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds6

About 4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine

4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine (PubChem CID 103128359) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine
PubChem CID103128359
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine
SMILESCNC(CCCOC)c1nn(C)c2ccccc12
InChIInChI=1S/C14H21N3O/c1-15-12(8-6-10-18-3)14-11-7-4-5-9-13(11)17(2)16-14/h4-5,7,9,12,15H,6,8,10H2,1-3H3
InChIKeyWSKXLFJPINHURJ-UHFFFAOYSA-N
XLogP2.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126552
N-methyl-1-(1-methylindazol-3-yl)-3-phenylpropan-1-amine
CID 103126196
N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 103127434
N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine
CID 103125829
N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126554
1-(1-methylindazol-3-yl)propylhydrazine
CID 103129371
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine
CID 105190294
2-(5-bromo-3-pyridinyl)-N-methyl-1-(1-methylindazol-3-yl)ethanamine
CID 103128134
4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 63001587
3-(difluoromethyl)-1-methylindazole
CID 153487584
4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine
CID 114857319

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine?
The IUPAC name of 4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine (CID 103128359) is 4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine is CNC(CCCOC)c1nn(C)c2ccccc12.
What is the InChIKey of 4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine?
The InChIKey is WSKXLFJPINHURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-15-12(8-6-10-18-3)14-11-7-4-5-9-13(11)17(2)16-14/h4-5,7,9,12,15H,6,8,10H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine?
4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine is sourced from PubChem (CID 103128359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).