4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal

C19H20Br2N2O — CID 144652940

IUPAC4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal
SMILESCN(CCCC=O)CCn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C19H20Br2N2O/c1-22(8-2-3-11-24)9-10-23-18-12-14(20)4-6-16(18)17-7-5-15(21)13-19(17)23/h4-7,11-13H,2-3,8-10H2,1H3
InChIKeyOZUAJRMSCMPSAO-UHFFFAOYSA-N
MW452.19 g/mol
LogP5.23
Rot. Bonds7

About 4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal

4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal (PubChem CID 144652940) has the molecular formula C19H20Br2N2O and a molecular weight of 452.19 g/mol. Its IUPAC name is 4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal.

Molecular Properties

Compound Name4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal
PubChem CID144652940
Molecular FormulaC19H20Br2N2O
Molecular Weight452.19 g/mol
Exact Mass449.99
IUPAC Name4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal
SMILESCN(CCCC=O)CCn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C19H20Br2N2O/c1-22(8-2-3-11-24)9-10-23-18-12-14(20)4-6-16(18)17-7-5-15(21)13-19(17)23/h4-7,11-13H,2-3,8-10H2,1H3
InChIKeyOZUAJRMSCMPSAO-UHFFFAOYSA-N
XLogP5.23
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.19
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,7-dibromo-9-(3-bromopropyl)carbazole
CID 172552809
2,7-dibromo-9-propylcarbazole;propane
CID 144652939
2,7-dibromo-9-tetracontylcarbazole
CID 141357666
7-bromo-9-ethylcarbazole-2-carbaldehyde
CID 20504294
2,7-dibromo-9-methylcarbazole
CID 11851387
2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 139805083
6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine
CID 65344674
3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide
CID 123176475
tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate
CID 90220378
4-[(4-fluorophenyl)methyl-methylamino]butanal
CID 176696174
7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine
CID 53338588
6-bromo-1-methylindazole-3-carbaldehyde
CID 83912445

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal?
The IUPAC name of 4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal (CID 144652940) is 4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal.
What is the SMILES notation for 4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal?
The canonical SMILES for 4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal is CN(CCCC=O)CCn1c2cc(Br)ccc2c2ccc(Br)cc21.
What is the InChIKey of 4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal?
The InChIKey is OZUAJRMSCMPSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N2O/c1-22(8-2-3-11-24)9-10-23-18-12-14(20)4-6-16(18)17-7-5-15(21)13-19(17)23/h4-7,11-13H,2-3,8-10H2,1H3.
What are the key properties of 4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal?
4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal has a molecular weight of 452.19 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal is sourced from PubChem (CID 144652940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).