2-(1H-indol-5-yl)-2-methylpropan-1-amine

C12H16N2 — CID 116996128

IUPAC2-(1H-indol-5-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc2[nH]ccc2c1
InChIInChI=1S/C12H16N2/c1-12(2,8-13)10-3-4-11-9(7-10)5-6-14-11/h3-7,14H,8,13H2,1-2H3
InChIKeyNHNLGUSLHVPVJS-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.40
Rot. Bonds2

About 2-(1H-indol-5-yl)-2-methylpropan-1-amine

2-(1H-indol-5-yl)-2-methylpropan-1-amine (PubChem CID 116996128) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(1H-indol-5-yl)-2-methylpropan-1-amine
PubChem CID116996128
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(1H-indol-5-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1ccc2[nH]ccc2c1
InChIInChI=1S/C12H16N2/c1-12(2,8-13)10-3-4-11-9(7-10)5-6-14-11/h3-7,14H,8,13H2,1-2H3
InChIKeyNHNLGUSLHVPVJS-UHFFFAOYSA-N
XLogP2.40
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(1H-indol-5-yl)-2-methylpropan-1-amine (CID 116996128) is 2-(1H-indol-5-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(1H-indol-5-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(1H-indol-5-yl)-2-methylpropan-1-amine is CC(C)(CN)c1ccc2[nH]ccc2c1.
What is the InChIKey of 2-(1H-indol-5-yl)-2-methylpropan-1-amine?
The InChIKey is NHNLGUSLHVPVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-12(2,8-13)10-3-4-11-9(7-10)5-6-14-11/h3-7,14H,8,13H2,1-2H3.
What are the key properties of 2-(1H-indol-5-yl)-2-methylpropan-1-amine?
2-(1H-indol-5-yl)-2-methylpropan-1-amine has a molecular weight of 188.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 116996128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).