2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydroindol-4-ol

C15H26N2O — CID 62639905

IUPAC2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydroindol-4-ol
SMILESCc1cc2c(n1CCN(C)C(C)C)CCCC2O
InChIInChI=1S/C15H26N2O/c1-11(2)16(4)8-9-17-12(3)10-13-14(17)6-5-7-15(13)18/h10-11,15,18H,5-9H2,1-4H3
InChIKeyMMMFYEXDYBTNRM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydroindol-4-ol

2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 62639905) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydroindol-4-ol
PubChem CID62639905
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydroindol-4-ol
SMILESCc1cc2c(n1CCN(C)C(C)C)CCCC2O
InChIInChI=1S/C15H26N2O/c1-11(2)16(4)8-9-17-12(3)10-13-14(17)6-5-7-15(13)18/h10-11,15,18H,5-9H2,1-4H3
InChIKeyMMMFYEXDYBTNRM-UHFFFAOYSA-N
XLogP2.51
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydroindol-4-ol (CID 62639905) is 2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydroindol-4-ol is Cc1cc2c(n1CCN(C)C(C)C)CCCC2O.
What is the InChIKey of 2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is MMMFYEXDYBTNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)16(4)8-9-17-12(3)10-13-14(17)6-5-7-15(13)18/h10-11,15,18H,5-9H2,1-4H3.
What are the key properties of 2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydroindol-4-ol?
2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 250.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 62639905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).