6,6-dimethyl-1-(3-methylbut-2-enyl)-5,7-dihydro-4H-indol-4-amine

C15H24N2 — CID 114155626

IUPAC6,6-dimethyl-1-(3-methylbut-2-enyl)-5,7-dihydro-4H-indol-4-amine
SMILESCC(C)=CCn1ccc2c1CC(C)(C)CC2N
InChIInChI=1S/C15H24N2/c1-11(2)5-7-17-8-6-12-13(16)9-15(3,4)10-14(12)17/h5-6,8,13H,7,9-10,16H2,1-4H3
InChIKeyVZYSZHPDRGMUQH-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.43
Rot. Bonds2

About 6,6-dimethyl-1-(3-methylbut-2-enyl)-5,7-dihydro-4H-indol-4-amine

6,6-dimethyl-1-(3-methylbut-2-enyl)-5,7-dihydro-4H-indol-4-amine (PubChem CID 114155626) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 6,6-dimethyl-1-(3-methylbut-2-enyl)-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name6,6-dimethyl-1-(3-methylbut-2-enyl)-5,7-dihydro-4H-indol-4-amine
PubChem CID114155626
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name6,6-dimethyl-1-(3-methylbut-2-enyl)-5,7-dihydro-4H-indol-4-amine
SMILESCC(C)=CCn1ccc2c1CC(C)(C)CC2N
InChIInChI=1S/C15H24N2/c1-11(2)5-7-17-8-6-12-13(16)9-15(3,4)10-14(12)17/h5-6,8,13H,7,9-10,16H2,1-4H3
InChIKeyVZYSZHPDRGMUQH-UHFFFAOYSA-N
XLogP3.43
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(3-methylbut-2-enyl)-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 6,6-dimethyl-1-(3-methylbut-2-enyl)-5,7-dihydro-4H-indol-4-amine (CID 114155626) is 6,6-dimethyl-1-(3-methylbut-2-enyl)-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 6,6-dimethyl-1-(3-methylbut-2-enyl)-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 6,6-dimethyl-1-(3-methylbut-2-enyl)-5,7-dihydro-4H-indol-4-amine is CC(C)=CCn1ccc2c1CC(C)(C)CC2N.
What is the InChIKey of 6,6-dimethyl-1-(3-methylbut-2-enyl)-5,7-dihydro-4H-indol-4-amine?
The InChIKey is VZYSZHPDRGMUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11(2)5-7-17-8-6-12-13(16)9-15(3,4)10-14(12)17/h5-6,8,13H,7,9-10,16H2,1-4H3.
What are the key properties of 6,6-dimethyl-1-(3-methylbut-2-enyl)-5,7-dihydro-4H-indol-4-amine?
6,6-dimethyl-1-(3-methylbut-2-enyl)-5,7-dihydro-4H-indol-4-amine has a molecular weight of 232.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(3-methylbut-2-enyl)-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 114155626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).