9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol

C15H20N2O — CID 71188000

IUPAC9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol
SMILESCNCC1CCc2c(c3ccccc3n2C)C1O
InChIInChI=1S/C15H20N2O/c1-16-9-10-7-8-13-14(15(10)18)11-5-3-4-6-12(11)17(13)2/h3-6,10,15-16,18H,7-9H2,1-2H3
InChIKeyPWSSDPPKXNUYGD-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.99
Rot. Bonds2

About 9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol

9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol (PubChem CID 71188000) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol.

Molecular Properties

Compound Name9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol
PubChem CID71188000
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol
SMILESCNCC1CCc2c(c3ccccc3n2C)C1O
InChIInChI=1S/C15H20N2O/c1-16-9-10-7-8-13-14(15(10)18)11-5-3-4-6-12(11)17(13)2/h3-6,10,15-16,18H,7-9H2,1-2H3
InChIKeyPWSSDPPKXNUYGD-UHFFFAOYSA-N
XLogP1.99
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.99
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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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol?
The IUPAC name of 9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol (CID 71188000) is 9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol.
What is the SMILES notation for 9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol?
The canonical SMILES for 9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol is CNCC1CCc2c(c3ccccc3n2C)C1O.
What is the InChIKey of 9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol?
The InChIKey is PWSSDPPKXNUYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-9-10-7-8-13-14(15(10)18)11-5-3-4-6-12(11)17(13)2/h3-6,10,15-16,18H,7-9H2,1-2H3.
What are the key properties of 9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol?
9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol has a molecular weight of 244.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol is sourced from PubChem (CID 71188000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).