N-ethenyl-2-hexyl-3,5-dimethylindol-2-amine

C18H26N2 — CID 150482198

IUPACN-ethenyl-2-hexyl-3,5-dimethylindol-2-amine
SMILESC=CNC1(CCCCCC)N=c2ccc(C)cc2=C1C
InChIInChI=1S/C18H26N2/c1-5-7-8-9-12-18(19-6-2)15(4)16-13-14(3)10-11-17(16)20-18/h6,10-11,13,19H,2,5,7-9,12H2,1,3-4H3
InChIKeyHUBAYXSLILJCAD-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.20
Rot. Bonds7

About N-ethenyl-2-hexyl-3,5-dimethylindol-2-amine

N-ethenyl-2-hexyl-3,5-dimethylindol-2-amine (PubChem CID 150482198) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-ethenyl-2-hexyl-3,5-dimethylindol-2-amine.

Molecular Properties

Compound NameN-ethenyl-2-hexyl-3,5-dimethylindol-2-amine
PubChem CID150482198
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-ethenyl-2-hexyl-3,5-dimethylindol-2-amine
SMILESC=CNC1(CCCCCC)N=c2ccc(C)cc2=C1C
InChIInChI=1S/C18H26N2/c1-5-7-8-9-12-18(19-6-2)15(4)16-13-14(3)10-11-17(16)20-18/h6,10-11,13,19H,2,5,7-9,12H2,1,3-4H3
InChIKeyHUBAYXSLILJCAD-UHFFFAOYSA-N
XLogP3.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
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 N-ethenyl-2-hexyl-3,5-dimethylindol-2-amine?
The IUPAC name of N-ethenyl-2-hexyl-3,5-dimethylindol-2-amine (CID 150482198) is N-ethenyl-2-hexyl-3,5-dimethylindol-2-amine.
What is the SMILES notation for N-ethenyl-2-hexyl-3,5-dimethylindol-2-amine?
The canonical SMILES for N-ethenyl-2-hexyl-3,5-dimethylindol-2-amine is C=CNC1(CCCCCC)N=c2ccc(C)cc2=C1C.
What is the InChIKey of N-ethenyl-2-hexyl-3,5-dimethylindol-2-amine?
The InChIKey is HUBAYXSLILJCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-5-7-8-9-12-18(19-6-2)15(4)16-13-14(3)10-11-17(16)20-18/h6,10-11,13,19H,2,5,7-9,12H2,1,3-4H3.
What are the key properties of N-ethenyl-2-hexyl-3,5-dimethylindol-2-amine?
N-ethenyl-2-hexyl-3,5-dimethylindol-2-amine has a molecular weight of 270.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-hexyl-3,5-dimethylindol-2-amine is sourced from PubChem (CID 150482198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).