5-[benzyl(methyl)amino]-1-carbazol-9-ylpentan-1-one;hydrochloride

C25H27ClN2O — CID 122483261

IUPAC5-[benzyl(methyl)amino]-1-carbazol-9-ylpentan-1-one;hydrochloride
SMILESCN(CCCCC(=O)n1c2ccccc2c2ccccc21)Cc1ccccc1.Cl
InChIInChI=1S/C25H26N2O.ClH/c1-26(19-20-11-3-2-4-12-20)18-10-9-17-25(28)27-23-15-7-5-13-21(23)22-14-6-8-16-24(22)27;/h2-8,11-16H,9-10,17-19H2,1H3;1H
InChIKeyRMIYHRPRZSYNNZ-UHFFFAOYSA-N
MW406.96 g/mol
LogP6.16
Rot. Bonds7

About 5-[benzyl(methyl)amino]-1-carbazol-9-ylpentan-1-one;hydrochloride

5-[benzyl(methyl)amino]-1-carbazol-9-ylpentan-1-one;hydrochloride (PubChem CID 122483261) has the molecular formula C25H27ClN2O and a molecular weight of 406.96 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-1-carbazol-9-ylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-1-carbazol-9-ylpentan-1-one;hydrochloride
PubChem CID122483261
Molecular FormulaC25H27ClN2O
Molecular Weight406.96 g/mol
Exact Mass406.18
IUPAC Name5-[benzyl(methyl)amino]-1-carbazol-9-ylpentan-1-one;hydrochloride
SMILESCN(CCCCC(=O)n1c2ccccc2c2ccccc21)Cc1ccccc1.Cl
InChIInChI=1S/C25H26N2O.ClH/c1-26(19-20-11-3-2-4-12-20)18-10-9-17-25(28)27-23-15-7-5-13-21(23)22-14-6-8-16-24(22)27;/h2-8,11-16H,9-10,17-19H2,1H3;1H
InChIKeyRMIYHRPRZSYNNZ-UHFFFAOYSA-N
XLogP6.16
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.96
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-1-carbazol-9-ylpentan-1-one;hydrochloride?
The IUPAC name of 5-[benzyl(methyl)amino]-1-carbazol-9-ylpentan-1-one;hydrochloride (CID 122483261) is 5-[benzyl(methyl)amino]-1-carbazol-9-ylpentan-1-one;hydrochloride.
What is the SMILES notation for 5-[benzyl(methyl)amino]-1-carbazol-9-ylpentan-1-one;hydrochloride?
The canonical SMILES for 5-[benzyl(methyl)amino]-1-carbazol-9-ylpentan-1-one;hydrochloride is CN(CCCCC(=O)n1c2ccccc2c2ccccc21)Cc1ccccc1.Cl.
What is the InChIKey of 5-[benzyl(methyl)amino]-1-carbazol-9-ylpentan-1-one;hydrochloride?
The InChIKey is RMIYHRPRZSYNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O.ClH/c1-26(19-20-11-3-2-4-12-20)18-10-9-17-25(28)27-23-15-7-5-13-21(23)22-14-6-8-16-24(22)27;/h2-8,11-16H,9-10,17-19H2,1H3;1H.
What are the key properties of 5-[benzyl(methyl)amino]-1-carbazol-9-ylpentan-1-one;hydrochloride?
5-[benzyl(methyl)amino]-1-carbazol-9-ylpentan-1-one;hydrochloride has a molecular weight of 406.96 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-1-carbazol-9-ylpentan-1-one;hydrochloride is sourced from PubChem (CID 122483261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).