4-(3,6-dichlorocarbazol-9-yl)-N,N-dimethylbutan-1-amine

C18H20Cl2N2 — CID 171345154

IUPAC4-(3,6-dichlorocarbazol-9-yl)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C18H20Cl2N2/c1-21(2)9-3-4-10-22-17-7-5-13(19)11-15(17)16-12-14(20)6-8-18(16)22/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyJQGPMHWBPBTWBJ-UHFFFAOYSA-N
MW335.28 g/mol
LogP5.44
Rot. Bonds5

About 4-(3,6-dichlorocarbazol-9-yl)-N,N-dimethylbutan-1-amine

4-(3,6-dichlorocarbazol-9-yl)-N,N-dimethylbutan-1-amine (PubChem CID 171345154) has the molecular formula C18H20Cl2N2 and a molecular weight of 335.28 g/mol. Its IUPAC name is 4-(3,6-dichlorocarbazol-9-yl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3,6-dichlorocarbazol-9-yl)-N,N-dimethylbutan-1-amine
PubChem CID171345154
Molecular FormulaC18H20Cl2N2
Molecular Weight335.28 g/mol
Exact Mass334.10
IUPAC Name4-(3,6-dichlorocarbazol-9-yl)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C18H20Cl2N2/c1-21(2)9-3-4-10-22-17-7-5-13(19)11-15(17)16-12-14(20)6-8-18(16)22/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyJQGPMHWBPBTWBJ-UHFFFAOYSA-N
XLogP5.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.28
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-(3,6-dichlorocarbazol-9-yl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(3,6-dichlorocarbazol-9-yl)-N,N-dimethylbutan-1-amine (CID 171345154) is 4-(3,6-dichlorocarbazol-9-yl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(3,6-dichlorocarbazol-9-yl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(3,6-dichlorocarbazol-9-yl)-N,N-dimethylbutan-1-amine is CN(C)CCCCn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 4-(3,6-dichlorocarbazol-9-yl)-N,N-dimethylbutan-1-amine?
The InChIKey is JQGPMHWBPBTWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2/c1-21(2)9-3-4-10-22-17-7-5-13(19)11-15(17)16-12-14(20)6-8-18(16)22/h5-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of 4-(3,6-dichlorocarbazol-9-yl)-N,N-dimethylbutan-1-amine?
4-(3,6-dichlorocarbazol-9-yl)-N,N-dimethylbutan-1-amine has a molecular weight of 335.28 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dichlorocarbazol-9-yl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 171345154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).