6-[benzyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride

C26H29ClN2O — CID 127027143

IUPAC6-[benzyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride
SMILESCN(CCCCCC(=O)n1c2ccccc2c2ccccc21)Cc1ccccc1.Cl
InChIInChI=1S/C26H28N2O.ClH/c1-27(20-21-12-4-2-5-13-21)19-11-3-6-18-26(29)28-24-16-9-7-14-22(24)23-15-8-10-17-25(23)28;/h2,4-5,7-10,12-17H,3,6,11,18-20H2,1H3;1H
InChIKeyUWHCYTVKIZXUEG-UHFFFAOYSA-N
MW420.98 g/mol
LogP6.55
Rot. Bonds8

About 6-[benzyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride

6-[benzyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride (PubChem CID 127027143) has the molecular formula C26H29ClN2O and a molecular weight of 420.98 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride
PubChem CID127027143
Molecular FormulaC26H29ClN2O
Molecular Weight420.98 g/mol
Exact Mass420.20
IUPAC Name6-[benzyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride
SMILESCN(CCCCCC(=O)n1c2ccccc2c2ccccc21)Cc1ccccc1.Cl
InChIInChI=1S/C26H28N2O.ClH/c1-27(20-21-12-4-2-5-13-21)19-11-3-6-18-26(29)28-24-16-9-7-14-22(24)23-15-8-10-17-25(23)28;/h2,4-5,7-10,12-17H,3,6,11,18-20H2,1H3;1H
InChIKeyUWHCYTVKIZXUEG-UHFFFAOYSA-N
XLogP6.55
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.98
LogP ≤ 56.55
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 6-[benzyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride?
The IUPAC name of 6-[benzyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride (CID 127027143) is 6-[benzyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride.
What is the SMILES notation for 6-[benzyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride?
The canonical SMILES for 6-[benzyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride is CN(CCCCCC(=O)n1c2ccccc2c2ccccc21)Cc1ccccc1.Cl.
What is the InChIKey of 6-[benzyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride?
The InChIKey is UWHCYTVKIZXUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O.ClH/c1-27(20-21-12-4-2-5-13-21)19-11-3-6-18-26(29)28-24-16-9-7-14-22(24)23-15-8-10-17-25(23)28;/h2,4-5,7-10,12-17H,3,6,11,18-20H2,1H3;1H.
What are the key properties of 6-[benzyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride?
6-[benzyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride has a molecular weight of 420.98 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride is sourced from PubChem (CID 127027143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).