6,6-dimethyl-1-(4-propan-2-yloxybutyl)-5,7-dihydro-4H-indol-4-amine

C17H30N2O — CID 106008311

IUPAC6,6-dimethyl-1-(4-propan-2-yloxybutyl)-5,7-dihydro-4H-indol-4-amine
SMILESCC(C)OCCCCn1ccc2c1CC(C)(C)CC2N
InChIInChI=1S/C17H30N2O/c1-13(2)20-10-6-5-8-19-9-7-14-15(18)11-17(3,4)12-16(14)19/h7,9,13,15H,5-6,8,10-12,18H2,1-4H3
InChIKeyXFPHFOAIYHAZCL-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.67
Rot. Bonds6

About 6,6-dimethyl-1-(4-propan-2-yloxybutyl)-5,7-dihydro-4H-indol-4-amine

6,6-dimethyl-1-(4-propan-2-yloxybutyl)-5,7-dihydro-4H-indol-4-amine (PubChem CID 106008311) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 6,6-dimethyl-1-(4-propan-2-yloxybutyl)-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name6,6-dimethyl-1-(4-propan-2-yloxybutyl)-5,7-dihydro-4H-indol-4-amine
PubChem CID106008311
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name6,6-dimethyl-1-(4-propan-2-yloxybutyl)-5,7-dihydro-4H-indol-4-amine
SMILESCC(C)OCCCCn1ccc2c1CC(C)(C)CC2N
InChIInChI=1S/C17H30N2O/c1-13(2)20-10-6-5-8-19-9-7-14-15(18)11-17(3,4)12-16(14)19/h7,9,13,15H,5-6,8,10-12,18H2,1-4H3
InChIKeyXFPHFOAIYHAZCL-UHFFFAOYSA-N
XLogP3.67
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.67
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 6,6-dimethyl-1-(4-propan-2-yloxybutyl)-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 6,6-dimethyl-1-(4-propan-2-yloxybutyl)-5,7-dihydro-4H-indol-4-amine (CID 106008311) is 6,6-dimethyl-1-(4-propan-2-yloxybutyl)-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 6,6-dimethyl-1-(4-propan-2-yloxybutyl)-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 6,6-dimethyl-1-(4-propan-2-yloxybutyl)-5,7-dihydro-4H-indol-4-amine is CC(C)OCCCCn1ccc2c1CC(C)(C)CC2N.
What is the InChIKey of 6,6-dimethyl-1-(4-propan-2-yloxybutyl)-5,7-dihydro-4H-indol-4-amine?
The InChIKey is XFPHFOAIYHAZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13(2)20-10-6-5-8-19-9-7-14-15(18)11-17(3,4)12-16(14)19/h7,9,13,15H,5-6,8,10-12,18H2,1-4H3.
What are the key properties of 6,6-dimethyl-1-(4-propan-2-yloxybutyl)-5,7-dihydro-4H-indol-4-amine?
6,6-dimethyl-1-(4-propan-2-yloxybutyl)-5,7-dihydro-4H-indol-4-amine has a molecular weight of 278.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(4-propan-2-yloxybutyl)-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 106008311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).