3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine

C15H23N3O — CID 116719859

IUPAC3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine
SMILESCOC(C(C)C)C(N)Cc1nn(C)c2ccccc12
InChIInChI=1S/C15H23N3O/c1-10(2)15(19-4)12(16)9-13-11-7-5-6-8-14(11)18(3)17-13/h5-8,10,12,15H,9,16H2,1-4H3
InChIKeyLBVBFSIXOGIKBE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.11
Rot. Bonds5

About 3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine

3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine (PubChem CID 116719859) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine.

Molecular Properties

Compound Name3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine
PubChem CID116719859
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine
SMILESCOC(C(C)C)C(N)Cc1nn(C)c2ccccc12
InChIInChI=1S/C15H23N3O/c1-10(2)15(19-4)12(16)9-13-11-7-5-6-8-14(11)18(3)17-13/h5-8,10,12,15H,9,16H2,1-4H3
InChIKeyLBVBFSIXOGIKBE-UHFFFAOYSA-N
XLogP2.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
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2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine
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N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
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N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine
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1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine
CID 81494685
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 106692425
3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol
CID 116713352
[1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105318176
2-(1-methylindazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanamine
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CID 112566831

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine?
The IUPAC name of 3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine (CID 116719859) is 3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine.
What is the SMILES notation for 3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine?
The canonical SMILES for 3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine is COC(C(C)C)C(N)Cc1nn(C)c2ccccc12.
What is the InChIKey of 3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine?
The InChIKey is LBVBFSIXOGIKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(2)15(19-4)12(16)9-13-11-7-5-6-8-14(11)18(3)17-13/h5-8,10,12,15H,9,16H2,1-4H3.
What are the key properties of 3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine?
3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine is sourced from PubChem (CID 116719859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).