3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine

C17H26N2 — CID 82500218

IUPAC3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine
SMILESCc1c(CCCN)c2cc(C(C)(C)C)ccc2n1C
InChIInChI=1S/C17H26N2/c1-12-14(7-6-10-18)15-11-13(17(2,3)4)8-9-16(15)19(12)5/h8-9,11H,6-7,10,18H2,1-5H3
InChIKeyCGODZBBEUMXWJZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.68
Rot. Bonds3

About 3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine

3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine (PubChem CID 82500218) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine
PubChem CID82500218
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine
SMILESCc1c(CCCN)c2cc(C(C)(C)C)ccc2n1C
InChIInChI=1S/C17H26N2/c1-12-14(7-6-10-18)15-11-13(17(2,3)4)8-9-16(15)19(12)5/h8-9,11H,6-7,10,18H2,1-5H3
InChIKeyCGODZBBEUMXWJZ-UHFFFAOYSA-N
XLogP3.68
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine?
The IUPAC name of 3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine (CID 82500218) is 3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine?
The canonical SMILES for 3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine is Cc1c(CCCN)c2cc(C(C)(C)C)ccc2n1C.
What is the InChIKey of 3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine?
The InChIKey is CGODZBBEUMXWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-12-14(7-6-10-18)15-11-13(17(2,3)4)8-9-16(15)19(12)5/h8-9,11H,6-7,10,18H2,1-5H3.
What are the key properties of 3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine?
3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine is sourced from PubChem (CID 82500218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).