4-(1H-indol-2-yl)-2-methylbutan-2-amine

C13H18N2 — CID 116995131

IUPAC4-(1H-indol-2-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCc1cc2ccccc2[nH]1
InChIInChI=1S/C13H18N2/c1-13(2,14)8-7-11-9-10-5-3-4-6-12(10)15-11/h3-6,9,15H,7-8,14H2,1-2H3
InChIKeyNXBVEYNXOQKEBI-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.84
Rot. Bonds3

About 4-(1H-indol-2-yl)-2-methylbutan-2-amine

4-(1H-indol-2-yl)-2-methylbutan-2-amine (PubChem CID 116995131) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-(1H-indol-2-yl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(1H-indol-2-yl)-2-methylbutan-2-amine
PubChem CID116995131
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-(1H-indol-2-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCc1cc2ccccc2[nH]1
InChIInChI=1S/C13H18N2/c1-13(2,14)8-7-11-9-10-5-3-4-6-12(10)15-11/h3-6,9,15H,7-8,14H2,1-2H3
InChIKeyNXBVEYNXOQKEBI-UHFFFAOYSA-N
XLogP2.84
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-yl)-2-methylbutan-2-amine?
The IUPAC name of 4-(1H-indol-2-yl)-2-methylbutan-2-amine (CID 116995131) is 4-(1H-indol-2-yl)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(1H-indol-2-yl)-2-methylbutan-2-amine?
The canonical SMILES for 4-(1H-indol-2-yl)-2-methylbutan-2-amine is CC(C)(N)CCc1cc2ccccc2[nH]1.
What is the InChIKey of 4-(1H-indol-2-yl)-2-methylbutan-2-amine?
The InChIKey is NXBVEYNXOQKEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-13(2,14)8-7-11-9-10-5-3-4-6-12(10)15-11/h3-6,9,15H,7-8,14H2,1-2H3.
What are the key properties of 4-(1H-indol-2-yl)-2-methylbutan-2-amine?
4-(1H-indol-2-yl)-2-methylbutan-2-amine has a molecular weight of 202.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-yl)-2-methylbutan-2-amine is sourced from PubChem (CID 116995131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).