3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol

C16H22N2O — CID 21044532

IUPAC3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol
SMILESCN(C)CC1CCc2c(c3ccccc3n2C)C1O
InChIInChI=1S/C16H22N2O/c1-17(2)10-11-8-9-14-15(16(11)19)12-6-4-5-7-13(12)18(14)3/h4-7,11,16,19H,8-10H2,1-3H3
InChIKeyXGJDHKWDIDYKOT-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.34
Rot. Bonds2

About 3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol

3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol (PubChem CID 21044532) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol
PubChem CID21044532
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol
SMILESCN(C)CC1CCc2c(c3ccccc3n2C)C1O
InChIInChI=1S/C16H22N2O/c1-17(2)10-11-8-9-14-15(16(11)19)12-6-4-5-7-13(12)18(14)3/h4-7,11,16,19H,8-10H2,1-3H3
InChIKeyXGJDHKWDIDYKOT-UHFFFAOYSA-N
XLogP2.34
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol?
The IUPAC name of 3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol (CID 21044532) is 3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol is CN(C)CC1CCc2c(c3ccccc3n2C)C1O.
What is the InChIKey of 3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol?
The InChIKey is XGJDHKWDIDYKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17(2)10-11-8-9-14-15(16(11)19)12-6-4-5-7-13(12)18(14)3/h4-7,11,16,19H,8-10H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol?
3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol has a molecular weight of 258.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol is sourced from PubChem (CID 21044532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).