3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol

C16H24N2O — CID 107236217

IUPAC3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol
SMILESCc1c(CNC(C)C(C)CO)n(C)c2ccccc12
InChIInChI=1S/C16H24N2O/c1-11(10-19)13(3)17-9-16-12(2)14-7-5-6-8-15(14)18(16)4/h5-8,11,13,17,19H,9-10H2,1-4H3
InChIKeyOVUFJGHKVQJCPP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.59
Rot. Bonds5

About 3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol

3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol (PubChem CID 107236217) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol
PubChem CID107236217
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol
SMILESCc1c(CNC(C)C(C)CO)n(C)c2ccccc12
InChIInChI=1S/C16H24N2O/c1-11(10-19)13(3)17-9-16-12(2)14-7-5-6-8-15(14)18(16)4/h5-8,11,13,17,19H,9-10H2,1-4H3
InChIKeyOVUFJGHKVQJCPP-UHFFFAOYSA-N
XLogP2.59
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
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-[(1,3-dimethylindol-2-yl)methylamino]propane-1,3-diol
CID 107235824
2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol
CID 107234805
(1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
CID 107235986
N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine
CID 107235779
2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 107235585
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]-4-methylpentan-1-amine
CID 107235433
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
N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 107235513
4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine
CID 107236533

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol?
The IUPAC name of 3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol (CID 107236217) is 3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol is Cc1c(CNC(C)C(C)CO)n(C)c2ccccc12.
What is the InChIKey of 3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol?
The InChIKey is OVUFJGHKVQJCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(10-19)13(3)17-9-16-12(2)14-7-5-6-8-15(14)18(16)4/h5-8,11,13,17,19H,9-10H2,1-4H3.
What are the key properties of 3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol?
3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 107236217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).