1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid

C22H29N3O5 — CID 16807164

IUPAC1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid
SMILESCN(C)CCCNCC(O)Cn1c2ccccc2c2ccccc21.O=C(O)C(=O)O
InChIInChI=1S/C20H27N3O.C2H2O4/c1-22(2)13-7-12-21-14-16(24)15-23-19-10-5-3-8-17(19)18-9-4-6-11-20(18)23;3-1(4)2(5)6/h3-6,8-11,16,21,24H,7,12-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyIYIICFALHSMLFP-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.85
Rot. Bonds8

About 1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid

1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid (PubChem CID 16807164) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid.

Molecular Properties

Compound Name1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid
PubChem CID16807164
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid
SMILESCN(C)CCCNCC(O)Cn1c2ccccc2c2ccccc21.O=C(O)C(=O)O
InChIInChI=1S/C20H27N3O.C2H2O4/c1-22(2)13-7-12-21-14-16(24)15-23-19-10-5-3-8-17(19)18-9-4-6-11-20(18)23;3-1(4)2(5)6/h3-6,8-11,16,21,24H,7,12-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyIYIICFALHSMLFP-UHFFFAOYSA-N
XLogP1.85
TPSA115.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 2136180
[(2R)-1-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]propan-2-yl]carbamic acid
CID 118415459
(2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7411148
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
1-carbazol-9-yl-3-(1-phenylethylamino)propan-2-ol
CID 3635355
1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol
CID 3635534
1-anilino-3-(2,3-dimethylindol-1-yl)propan-2-ol;oxalic acid
CID 2897460
N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine
CID 103603219
tert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate
CID 123173626
tert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate
CID 149336404
methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate
CID 64567480

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid?
The IUPAC name of 1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid (CID 16807164) is 1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid.
What is the SMILES notation for 1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid?
The canonical SMILES for 1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid is CN(C)CCCNCC(O)Cn1c2ccccc2c2ccccc21.O=C(O)C(=O)O.
What is the InChIKey of 1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid?
The InChIKey is IYIICFALHSMLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O.C2H2O4/c1-22(2)13-7-12-21-14-16(24)15-23-19-10-5-3-8-17(19)18-9-4-6-11-20(18)23;3-1(4)2(5)6/h3-6,8-11,16,21,24H,7,12-15H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid?
1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid has a molecular weight of 415.49 g/mol, XLogP of 1.85, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid is sourced from PubChem (CID 16807164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).