4-(1,2,6-trimethylindol-3-yl)butan-2-amine

C15H22N2 — CID 82495296

IUPAC4-(1,2,6-trimethylindol-3-yl)butan-2-amine
SMILESCc1ccc2c(CCC(C)N)c(C)n(C)c2c1
InChIInChI=1S/C15H22N2/c1-10-5-7-14-13(8-6-11(2)16)12(3)17(4)15(14)9-10/h5,7,9,11H,6,8,16H2,1-4H3
InChIKeyPCYKRHHTEKFFIU-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.07
Rot. Bonds3

About 4-(1,2,6-trimethylindol-3-yl)butan-2-amine

4-(1,2,6-trimethylindol-3-yl)butan-2-amine (PubChem CID 82495296) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(1,2,6-trimethylindol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(1,2,6-trimethylindol-3-yl)butan-2-amine
PubChem CID82495296
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4-(1,2,6-trimethylindol-3-yl)butan-2-amine
SMILESCc1ccc2c(CCC(C)N)c(C)n(C)c2c1
InChIInChI=1S/C15H22N2/c1-10-5-7-14-13(8-6-11(2)16)12(3)17(4)15(14)9-10/h5,7,9,11H,6,8,16H2,1-4H3
InChIKeyPCYKRHHTEKFFIU-UHFFFAOYSA-N
XLogP3.07
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.07
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 4-(1,2,6-trimethylindol-3-yl)butan-2-amine?
The IUPAC name of 4-(1,2,6-trimethylindol-3-yl)butan-2-amine (CID 82495296) is 4-(1,2,6-trimethylindol-3-yl)butan-2-amine.
What is the SMILES notation for 4-(1,2,6-trimethylindol-3-yl)butan-2-amine?
The canonical SMILES for 4-(1,2,6-trimethylindol-3-yl)butan-2-amine is Cc1ccc2c(CCC(C)N)c(C)n(C)c2c1.
What is the InChIKey of 4-(1,2,6-trimethylindol-3-yl)butan-2-amine?
The InChIKey is PCYKRHHTEKFFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-10-5-7-14-13(8-6-11(2)16)12(3)17(4)15(14)9-10/h5,7,9,11H,6,8,16H2,1-4H3.
What are the key properties of 4-(1,2,6-trimethylindol-3-yl)butan-2-amine?
4-(1,2,6-trimethylindol-3-yl)butan-2-amine has a molecular weight of 230.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,6-trimethylindol-3-yl)butan-2-amine is sourced from PubChem (CID 82495296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).