4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine

C14H20N2 — CID 158908695

IUPAC4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine
SMILESCCC(C)c1cccc2c1CC(N(C)C)=N2
InChIInChI=1S/C14H20N2/c1-5-10(2)11-7-6-8-13-12(11)9-14(15-13)16(3)4/h6-8,10H,5,9H2,1-4H3
InChIKeyDGYREXGPAWEJQK-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.35
Rot. Bonds2

About 4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine

4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine (PubChem CID 158908695) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine.

Molecular Properties

Compound Name4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine
PubChem CID158908695
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine
SMILESCCC(C)c1cccc2c1CC(N(C)C)=N2
InChIInChI=1S/C14H20N2/c1-5-10(2)11-7-6-8-13-12(11)9-14(15-13)16(3)4/h6-8,10H,5,9H2,1-4H3
InChIKeyDGYREXGPAWEJQK-UHFFFAOYSA-N
XLogP3.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine?
The IUPAC name of 4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine (CID 158908695) is 4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine.
What is the SMILES notation for 4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine?
The canonical SMILES for 4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine is CCC(C)c1cccc2c1CC(N(C)C)=N2.
What is the InChIKey of 4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine?
The InChIKey is DGYREXGPAWEJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-10(2)11-7-6-8-13-12(11)9-14(15-13)16(3)4/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine?
4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine has a molecular weight of 216.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N,N-dimethyl-3H-indol-2-amine is sourced from PubChem (CID 158908695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).