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

C16H22N2O — CID 3027993

IUPAC2-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-1-ol
SMILESCN(C)CC1CCc2c(n(C)c3ccccc23)C1O
InChIInChI=1S/C16H22N2O/c1-17(2)10-11-8-9-13-12-6-4-5-7-14(12)18(3)15(13)16(11)19/h4-7,11,16,19H,8-10H2,1-3H3
InChIKeyNKXKVUWVAMJBMH-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.34
Rot. Bonds2

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

2-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-1-ol (PubChem CID 3027993) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-1-ol
PubChem CID3027993
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-1-ol
SMILESCN(C)CC1CCc2c(n(C)c3ccccc23)C1O
InChIInChI=1S/C16H22N2O/c1-17(2)10-11-8-9-13-12-6-4-5-7-14(12)18(3)15(13)16(11)19/h4-7,11,16,19H,8-10H2,1-3H3
InChIKeyNKXKVUWVAMJBMH-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

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Related Compounds

3-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-4-ol
CID 21044532
(1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 70291111
(1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 23242606
1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 68817099
(1S,11R,12S,22R)-9,20-dimethyl-9,20-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-2(10),3,5,7,13(21),14,16,18-octaene-11,22-diol
CID 102058607
9-methyl-3-(methylaminomethyl)-1,2,3,4-tetrahydrocarbazol-4-ol
CID 71188000
1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58793158
ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol
CID 145187913
(4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole
CID 102190403
(1,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanol
CID 142650325
(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanol
CID 140999060
(2S,5S)-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol
CID 639317

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-1-ol (CID 3027993) is 2-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-1-ol is CN(C)CC1CCc2c(n(C)c3ccccc23)C1O.
What is the InChIKey of 2-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-1-ol?
The InChIKey is NKXKVUWVAMJBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17(2)10-11-8-9-13-12-6-4-5-7-14(12)18(3)15(13)16(11)19/h4-7,11,16,19H,8-10H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-1-ol?
2-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-1-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 2-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-1-ol is sourced from PubChem (CID 3027993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).