1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine

C14H20N2 — CID 130005740

IUPAC1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine
SMILESCCC(N)Cc1c(C)[nH]c2c(C)cccc12
InChIInChI=1S/C14H20N2/c1-4-11(15)8-13-10(3)16-14-9(2)6-5-7-12(13)14/h5-7,11,16H,4,8,15H2,1-3H3
InChIKeyWGGVJDZOFNZVCH-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.06
Rot. Bonds3

About 1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine

1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine (PubChem CID 130005740) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine
PubChem CID130005740
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine
SMILESCCC(N)Cc1c(C)[nH]c2c(C)cccc12
InChIInChI=1S/C14H20N2/c1-4-11(15)8-13-10(3)16-14-9(2)6-5-7-12(13)14/h5-7,11,16H,4,8,15H2,1-3H3
InChIKeyWGGVJDZOFNZVCH-UHFFFAOYSA-N
XLogP3.06
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine?
The IUPAC name of 1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine (CID 130005740) is 1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine?
The canonical SMILES for 1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine is CCC(N)Cc1c(C)[nH]c2c(C)cccc12.
What is the InChIKey of 1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine?
The InChIKey is WGGVJDZOFNZVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-4-11(15)8-13-10(3)16-14-9(2)6-5-7-12(13)14/h5-7,11,16H,4,8,15H2,1-3H3.
What are the key properties of 1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine?
1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine has a molecular weight of 216.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethyl-1H-indol-3-yl)butan-2-amine is sourced from PubChem (CID 130005740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).