(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol

C21H28N2O — CID 726400

IUPAC(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
SMILESCCCN(CCC)C[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H28N2O/c1-3-13-22(14-4-2)15-17(24)16-23-20-11-7-5-9-18(20)19-10-6-8-12-21(19)23/h5-12,17,24H,3-4,13-16H2,1-2H3/t17-/m0/s1
InChIKeyHFEQTENZBXONEC-KRWDZBQOSA-N
MW324.47 g/mol
LogP4.28
Rot. Bonds8

About (2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol

(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol (PubChem CID 726400) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is (2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
PubChem CID726400
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
SMILESCCCN(CCC)C[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H28N2O/c1-3-13-22(14-4-2)15-17(24)16-23-20-11-7-5-9-18(20)19-10-6-8-12-21(19)23/h5-12,17,24H,3-4,13-16H2,1-2H3/t17-/m0/s1
InChIKeyHFEQTENZBXONEC-KRWDZBQOSA-N
XLogP4.28
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 4053072
2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile
CID 110929658
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-ethylmethanesulfinamide
CID 135295654
(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708303
3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine
CID 100978350
[(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-(4-aminophenyl)-N-(3-carbazol-9-yl-2-hydroxypropyl)methanesulfonamide
CID 123344434
(2S)-2-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]amino]butan-1-ol
CID 962217
2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol
CID 6710542
(2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol
CID 2053269

Frequently Asked Questions

What is the IUPAC name of (2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol?
The IUPAC name of (2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol (CID 726400) is (2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol?
The canonical SMILES for (2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol is CCCN(CCC)C[C@H](O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of (2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol?
The InChIKey is HFEQTENZBXONEC-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N2O/c1-3-13-22(14-4-2)15-17(24)16-23-20-11-7-5-9-18(20)19-10-6-8-12-21(19)23/h5-12,17,24H,3-4,13-16H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol?
(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol has a molecular weight of 324.47 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol is sourced from PubChem (CID 726400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).