N-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine

C30H33N3 — CID 4303691

IUPACN-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine
SMILESCc1c2cnccc2c(C)c2c1c1ccccc1n2CCCCCCNCc1ccccc1
InChIInChI=1S/C30H33N3/c1-22-27-21-32-18-16-25(27)23(2)30-29(22)26-14-8-9-15-28(26)33(30)19-11-4-3-10-17-31-20-24-12-6-5-7-13-24/h5-9,12-16,18,21,31H,3-4,10-11,17,19-20H2,1-2H3
InChIKeyZPNJDNPXOOBYAA-UHFFFAOYSA-N
MW435.62 g/mol
LogP7.31
Rot. Bonds9

About N-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine

N-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine (PubChem CID 4303691) has the molecular formula C30H33N3 and a molecular weight of 435.62 g/mol. Its IUPAC name is N-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine.

Molecular Properties

Compound NameN-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine
PubChem CID4303691
Molecular FormulaC30H33N3
Molecular Weight435.62 g/mol
Exact Mass435.27
IUPAC NameN-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine
SMILESCc1c2cnccc2c(C)c2c1c1ccccc1n2CCCCCCNCc1ccccc1
InChIInChI=1S/C30H33N3/c1-22-27-21-32-18-16-25(27)23(2)30-29(22)26-14-8-9-15-28(26)33(30)19-11-4-3-10-17-31-20-24-12-6-5-7-13-24/h5-9,12-16,18,21,31H,3-4,10-11,17,19-20H2,1-2H3
InChIKeyZPNJDNPXOOBYAA-UHFFFAOYSA-N
XLogP7.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.62
LogP ≤ 57.31
H-Bond Donors ≤ 51
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 N-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine?
The IUPAC name of N-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine (CID 4303691) is N-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine.
What is the SMILES notation for N-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine?
The canonical SMILES for N-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine is Cc1c2cnccc2c(C)c2c1c1ccccc1n2CCCCCCNCc1ccccc1.
What is the InChIKey of N-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine?
The InChIKey is ZPNJDNPXOOBYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3/c1-22-27-21-32-18-16-25(27)23(2)30-29(22)26-14-8-9-15-28(26)33(30)19-11-4-3-10-17-31-20-24-12-6-5-7-13-24/h5-9,12-16,18,21,31H,3-4,10-11,17,19-20H2,1-2H3.
What are the key properties of N-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine?
N-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine has a molecular weight of 435.62 g/mol, XLogP of 7.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)hexan-1-amine is sourced from PubChem (CID 4303691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).