2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile

C18H19N3O — CID 110929658

IUPAC2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile
SMILESCN(CC#N)CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H19N3O/c1-20(11-10-19)12-14(22)13-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-9,14,22H,11-13H2,1H3
InChIKeyUMWZABAHFKQAIH-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.61
Rot. Bonds5

About 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile

2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile (PubChem CID 110929658) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile.

Molecular Properties

Compound Name2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile
PubChem CID110929658
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile
SMILESCN(CC#N)CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H19N3O/c1-20(11-10-19)12-14(22)13-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-9,14,22H,11-13H2,1H3
InChIKeyUMWZABAHFKQAIH-UHFFFAOYSA-N
XLogP2.61
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
CID 726400
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide
CID 135295654
2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)-methylamino]acetonitrile
CID 110929665
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
CID 2138697
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
CID 6577414
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(3-cyanophenyl)methanesulfinamide
CID 135295554
5-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile
CID 58988032
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-naphthalen-1-ylmethanesulfinamide
CID 135295627
N-(4-aminophenyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfonamide
CID 123344434
1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol
CID 3610728
(2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7411148

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile?
The IUPAC name of 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile (CID 110929658) is 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile.
What is the SMILES notation for 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile?
The canonical SMILES for 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile is CN(CC#N)CC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile?
The InChIKey is UMWZABAHFKQAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-20(11-10-19)12-14(22)13-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-9,14,22H,11-13H2,1H3.
What are the key properties of 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile?
2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile has a molecular weight of 293.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile is sourced from PubChem (CID 110929658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).