3-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine

C17H26N2 — CID 82500229

IUPAC3-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine
SMILESCc1cc(C)c2c(c1)c(C(CN)C(C)C)c(C)n2C
InChIInChI=1S/C17H26N2/c1-10(2)15(9-18)16-13(5)19(6)17-12(4)7-11(3)8-14(16)17/h7-8,10,15H,9,18H2,1-6H3
InChIKeyLDXUGQRGZSYWCC-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.80
Rot. Bonds3

About 3-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine

3-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine (PubChem CID 82500229) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine
PubChem CID82500229
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine
SMILESCc1cc(C)c2c(c1)c(C(CN)C(C)C)c(C)n2C
InChIInChI=1S/C17H26N2/c1-10(2)15(9-18)16-13(5)19(6)17-12(4)7-11(3)8-14(16)17/h7-8,10,15H,9,18H2,1-6H3
InChIKeyLDXUGQRGZSYWCC-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
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-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine?
The IUPAC name of 3-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine (CID 82500229) is 3-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine?
The canonical SMILES for 3-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine is Cc1cc(C)c2c(c1)c(C(CN)C(C)C)c(C)n2C.
What is the InChIKey of 3-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine?
The InChIKey is LDXUGQRGZSYWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-10(2)15(9-18)16-13(5)19(6)17-12(4)7-11(3)8-14(16)17/h7-8,10,15H,9,18H2,1-6H3.
What are the key properties of 3-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine?
3-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine is sourced from PubChem (CID 82500229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).