[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium

C17H21N2O+ — CID 6577414

IUPAC[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
SMILESC[NH+](C)C[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C17H20N2O/c1-18(2)11-13(20)12-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10,13,20H,11-12H2,1-2H3/p+1/t13-/m0/s1
InChIKeyPRJKISUGFXPPMT-ZDUSSCGKSA-O
MW269.37 g/mol
LogP1.30
Rot. Bonds4

About [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium

[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium (PubChem CID 6577414) has the molecular formula C17H21N2O+ and a molecular weight of 269.37 g/mol. Its IUPAC name is [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium.

Molecular Properties

Compound Name[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
PubChem CID6577414
Molecular FormulaC17H21N2O+
Molecular Weight269.37 g/mol
Exact Mass269.16
IUPAC Name[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
SMILESC[NH+](C)C[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C17H20N2O/c1-18(2)11-13(20)12-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10,13,20H,11-12H2,1-2H3/p+1/t13-/m0/s1
InChIKeyPRJKISUGFXPPMT-ZDUSSCGKSA-O
XLogP1.30
TPSA29.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
CID 2138697
(2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 1202455
1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol
CID 3610728
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194
(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
CID 726400
(2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol
CID 798463
1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol
CID 70682192
(2R)-3-carbazol-9-yl-2-methylpropan-1-ol
CID 54249395
(2S)-2-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]amino]butan-1-ol
CID 962217
3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
CID 154741332
(2R)-1-carbazol-9-yl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 2368013

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium?
The IUPAC name of [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium (CID 6577414) is [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium.
What is the SMILES notation for [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium?
The canonical SMILES for [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium is C[NH+](C)C[C@H](O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium?
The InChIKey is PRJKISUGFXPPMT-ZDUSSCGKSA-O. The full InChI is InChI=1S/C17H20N2O/c1-18(2)11-13(20)12-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10,13,20H,11-12H2,1-2H3/p+1/t13-/m0/s1.
What are the key properties of [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium?
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium has a molecular weight of 269.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium is sourced from PubChem (CID 6577414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).