2-(2-butan-2-yl-1H-indol-3-yl)-N-methylethanamine

C15H22N2 — CID 56594251

IUPAC2-(2-butan-2-yl-1H-indol-3-yl)-N-methylethanamine
SMILESCCC(C)c1[nH]c2ccccc2c1CCNC
InChIInChI=1S/C15H22N2/c1-4-11(2)15-13(9-10-16-3)12-7-5-6-8-14(12)17-15/h5-8,11,16-17H,4,9-10H2,1-3H3
InChIKeyVWKYWYIZNQDOMN-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.44
Rot. Bonds5

About 2-(2-butan-2-yl-1H-indol-3-yl)-N-methylethanamine

2-(2-butan-2-yl-1H-indol-3-yl)-N-methylethanamine (PubChem CID 56594251) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(2-butan-2-yl-1H-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-butan-2-yl-1H-indol-3-yl)-N-methylethanamine
PubChem CID56594251
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-(2-butan-2-yl-1H-indol-3-yl)-N-methylethanamine
SMILESCCC(C)c1[nH]c2ccccc2c1CCNC
InChIInChI=1S/C15H22N2/c1-4-11(2)15-13(9-10-16-3)12-7-5-6-8-14(12)17-15/h5-8,11,16-17H,4,9-10H2,1-3H3
InChIKeyVWKYWYIZNQDOMN-UHFFFAOYSA-N
XLogP3.44
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yl-1H-indol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(2-butan-2-yl-1H-indol-3-yl)-N-methylethanamine (CID 56594251) is 2-(2-butan-2-yl-1H-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-butan-2-yl-1H-indol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-butan-2-yl-1H-indol-3-yl)-N-methylethanamine is CCC(C)c1[nH]c2ccccc2c1CCNC.
What is the InChIKey of 2-(2-butan-2-yl-1H-indol-3-yl)-N-methylethanamine?
The InChIKey is VWKYWYIZNQDOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-11(2)15-13(9-10-16-3)12-7-5-6-8-14(12)17-15/h5-8,11,16-17H,4,9-10H2,1-3H3.
What are the key properties of 2-(2-butan-2-yl-1H-indol-3-yl)-N-methylethanamine?
2-(2-butan-2-yl-1H-indol-3-yl)-N-methylethanamine has a molecular weight of 230.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yl-1H-indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 56594251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).