N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine

C16H24N2O — CID 107235779

IUPACN-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1c(C)c2ccccc2n1C
InChIInChI=1S/C16H24N2O/c1-12(9-10-19-4)17-11-16-13(2)14-7-5-6-8-15(14)18(16)3/h5-8,12,17H,9-11H2,1-4H3
InChIKeyAYPMBOWMTZLSTQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.00
Rot. Bonds6

About N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine

N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine (PubChem CID 107235779) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine
PubChem CID107235779
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1c(C)c2ccccc2n1C
InChIInChI=1S/C16H24N2O/c1-12(9-10-19-4)17-11-16-13(2)14-7-5-6-8-15(14)18(16)3/h5-8,12,17H,9-11H2,1-4H3
InChIKeyAYPMBOWMTZLSTQ-UHFFFAOYSA-N
XLogP3.00
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 107235585
2-[(1,3-dimethylindol-2-yl)methylamino]propane-1,3-diol
CID 107235824
3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol
CID 107236217
2-(methoxymethyl)-1,3-dimethylindole
CID 101050705
(1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
CID 107235986
4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine
CID 107236533
2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol
CID 107234805
N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine
CID 107235433
N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 107235503
2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 107236349
N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 107235763
N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
CID 107234543

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine (CID 107235779) is N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine is COCCC(C)NCc1c(C)c2ccccc2n1C.
What is the InChIKey of N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine?
The InChIKey is AYPMBOWMTZLSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(9-10-19-4)17-11-16-13(2)14-7-5-6-8-15(14)18(16)3/h5-8,12,17H,9-11H2,1-4H3.
What are the key properties of N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine?
N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine has a molecular weight of 260.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 107235779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).