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

C14H21N3O — CID 63001587

IUPAC4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine
SMILESCOCCCCNCc1nn(C)c2ccccc12
InChIInChI=1S/C14H21N3O/c1-17-14-8-4-3-7-12(14)13(16-17)11-15-9-5-6-10-18-2/h3-4,7-8,15H,5-6,9-11H2,1-2H3
InChIKeyOMKFODSLPRIWPV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.09
Rot. Bonds7

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

4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine (PubChem CID 63001587) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine
PubChem CID63001587
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine
SMILESCOCCCCNCc1nn(C)c2ccccc12
InChIInChI=1S/C14H21N3O/c1-17-14-8-4-3-7-12(14)13(16-17)11-15-9-5-6-10-18-2/h3-4,7-8,15H,5-6,9-11H2,1-2H3
InChIKeyOMKFODSLPRIWPV-UHFFFAOYSA-N
XLogP2.09
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.09
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-[(1-methylindazol-3-yl)methyl]hexan-1-amine
CID 62997880
N-[(1-ethylindazol-3-yl)methyl]-5-methoxypentan-1-amine
CID 104878924
5-bromo-N-[(1-methylindazol-3-yl)methyl]pentan-1-amine
CID 107320459
N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine
CID 63001740
N-[(1-methylindazol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 113239083
N-[(1-methylindazol-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 63378560
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
2-methoxy-N-[(1-methylindazol-3-yl)methyl]propan-1-amine
CID 102698056
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
N-[(1-ethylindazol-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 104879613
2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine
CID 106458306

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine?
The IUPAC name of 4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine (CID 63001587) is 4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine is COCCCCNCc1nn(C)c2ccccc12.
What is the InChIKey of 4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine?
The InChIKey is OMKFODSLPRIWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17-14-8-4-3-7-12(14)13(16-17)11-15-9-5-6-10-18-2/h3-4,7-8,15H,5-6,9-11H2,1-2H3.
What are the key properties of 4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine?
4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1-methylindazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 63001587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).