1-heptyl-5-methyl-2,3-dihydroindol-6-amine

C16H26N2 — CID 83213037

IUPAC1-heptyl-5-methyl-2,3-dihydroindol-6-amine
SMILESCCCCCCCN1CCc2cc(C)c(N)cc21
InChIInChI=1S/C16H26N2/c1-3-4-5-6-7-9-18-10-8-14-11-13(2)15(17)12-16(14)18/h11-12H,3-10,17H2,1-2H3
InChIKeyWCZITBKWMOSXHL-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.91
Rot. Bonds6

About 1-heptyl-5-methyl-2,3-dihydroindol-6-amine

1-heptyl-5-methyl-2,3-dihydroindol-6-amine (PubChem CID 83213037) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-heptyl-5-methyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-heptyl-5-methyl-2,3-dihydroindol-6-amine
PubChem CID83213037
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-heptyl-5-methyl-2,3-dihydroindol-6-amine
SMILESCCCCCCCN1CCc2cc(C)c(N)cc21
InChIInChI=1S/C16H26N2/c1-3-4-5-6-7-9-18-10-8-14-11-13(2)15(17)12-16(14)18/h11-12H,3-10,17H2,1-2H3
InChIKeyWCZITBKWMOSXHL-UHFFFAOYSA-N
XLogP3.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-heptyl-5-methyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-heptyl-5-methyl-2,3-dihydroindol-6-amine (CID 83213037) is 1-heptyl-5-methyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-heptyl-5-methyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-heptyl-5-methyl-2,3-dihydroindol-6-amine is CCCCCCCN1CCc2cc(C)c(N)cc21.
What is the InChIKey of 1-heptyl-5-methyl-2,3-dihydroindol-6-amine?
The InChIKey is WCZITBKWMOSXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-4-5-6-7-9-18-10-8-14-11-13(2)15(17)12-16(14)18/h11-12H,3-10,17H2,1-2H3.
What are the key properties of 1-heptyl-5-methyl-2,3-dihydroindol-6-amine?
1-heptyl-5-methyl-2,3-dihydroindol-6-amine has a molecular weight of 246.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-5-methyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 83213037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).