1-(1-methylindol-2-yl)butan-2-amine

C13H18N2 — CID 131504320

IUPAC1-(1-methylindol-2-yl)butan-2-amine
SMILESCCC(N)Cc1cc2ccccc2n1C
InChIInChI=1S/C13H18N2/c1-3-11(14)9-12-8-10-6-4-5-7-13(10)15(12)2/h4-8,11H,3,9,14H2,1-2H3
InChIKeyKHTDIUBSQNBJFZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.46
Rot. Bonds3

About 1-(1-methylindol-2-yl)butan-2-amine

1-(1-methylindol-2-yl)butan-2-amine (PubChem CID 131504320) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(1-methylindol-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1-methylindol-2-yl)butan-2-amine
PubChem CID131504320
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(1-methylindol-2-yl)butan-2-amine
SMILESCCC(N)Cc1cc2ccccc2n1C
InChIInChI=1S/C13H18N2/c1-3-11(14)9-12-8-10-6-4-5-7-13(10)15(12)2/h4-8,11H,3,9,14H2,1-2H3
InChIKeyKHTDIUBSQNBJFZ-UHFFFAOYSA-N
XLogP2.46
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-2-yl)butan-2-amine?
The IUPAC name of 1-(1-methylindol-2-yl)butan-2-amine (CID 131504320) is 1-(1-methylindol-2-yl)butan-2-amine.
What is the SMILES notation for 1-(1-methylindol-2-yl)butan-2-amine?
The canonical SMILES for 1-(1-methylindol-2-yl)butan-2-amine is CCC(N)Cc1cc2ccccc2n1C.
What is the InChIKey of 1-(1-methylindol-2-yl)butan-2-amine?
The InChIKey is KHTDIUBSQNBJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-11(14)9-12-8-10-6-4-5-7-13(10)15(12)2/h4-8,11H,3,9,14H2,1-2H3.
What are the key properties of 1-(1-methylindol-2-yl)butan-2-amine?
1-(1-methylindol-2-yl)butan-2-amine has a molecular weight of 202.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-2-yl)butan-2-amine is sourced from PubChem (CID 131504320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).