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

C23H31ClN2O — CID 122483273

IUPAC6-[butyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride
SMILESCCCCN(C)CCCCCC(=O)n1c2ccccc2c2ccccc21.Cl
InChIInChI=1S/C23H30N2O.ClH/c1-3-4-17-24(2)18-11-5-6-16-23(26)25-21-14-9-7-12-19(21)20-13-8-10-15-22(20)25;/h7-10,12-15H,3-6,11,16-18H2,1-2H3;1H
InChIKeyUWRWPTPVNUVKTA-UHFFFAOYSA-N
MW386.97 g/mol
LogP6.15
Rot. Bonds9

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

6-[butyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride (PubChem CID 122483273) has the molecular formula C23H31ClN2O and a molecular weight of 386.97 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride
PubChem CID122483273
Molecular FormulaC23H31ClN2O
Molecular Weight386.97 g/mol
Exact Mass386.21
IUPAC Name6-[butyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride
SMILESCCCCN(C)CCCCCC(=O)n1c2ccccc2c2ccccc21.Cl
InChIInChI=1S/C23H30N2O.ClH/c1-3-4-17-24(2)18-11-5-6-16-23(26)25-21-14-9-7-12-19(21)20-13-8-10-15-22(20)25;/h7-10,12-15H,3-6,11,16-18H2,1-2H3;1H
InChIKeyUWRWPTPVNUVKTA-UHFFFAOYSA-N
XLogP6.15
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.97
LogP ≤ 56.15
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-[butyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride?
The IUPAC name of 6-[butyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride (CID 122483273) is 6-[butyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride.
What is the SMILES notation for 6-[butyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride?
The canonical SMILES for 6-[butyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride is CCCCN(C)CCCCCC(=O)n1c2ccccc2c2ccccc21.Cl.
What is the InChIKey of 6-[butyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride?
The InChIKey is UWRWPTPVNUVKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O.ClH/c1-3-4-17-24(2)18-11-5-6-16-23(26)25-21-14-9-7-12-19(21)20-13-8-10-15-22(20)25;/h7-10,12-15H,3-6,11,16-18H2,1-2H3;1H.
What are the key properties of 6-[butyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride?
6-[butyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride has a molecular weight of 386.97 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-1-carbazol-9-ylhexan-1-one;hydrochloride is sourced from PubChem (CID 122483273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).