N,N,3-trimethyl-1H-indol-4-amine

C11H14N2 — CID 71336754

IUPACN,N,3-trimethyl-1H-indol-4-amine
SMILESCc1c[nH]c2cccc(N(C)C)c12
InChIInChI=1S/C11H14N2/c1-8-7-12-9-5-4-6-10(11(8)9)13(2)3/h4-7,12H,1-3H3
InChIKeyJTGRUQLIJRIJFO-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.54
Rot. Bonds1

About N,N,3-trimethyl-1H-indol-4-amine

N,N,3-trimethyl-1H-indol-4-amine (PubChem CID 71336754) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N,N,3-trimethyl-1H-indol-4-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-1H-indol-4-amine
PubChem CID71336754
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC NameN,N,3-trimethyl-1H-indol-4-amine
SMILESCc1c[nH]c2cccc(N(C)C)c12
InChIInChI=1S/C11H14N2/c1-8-7-12-9-5-4-6-10(11(8)9)13(2)3/h4-7,12H,1-3H3
InChIKeyJTGRUQLIJRIJFO-UHFFFAOYSA-N
XLogP2.54
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-1H-indol-4-amine?
The IUPAC name of N,N,3-trimethyl-1H-indol-4-amine (CID 71336754) is N,N,3-trimethyl-1H-indol-4-amine.
What is the SMILES notation for N,N,3-trimethyl-1H-indol-4-amine?
The canonical SMILES for N,N,3-trimethyl-1H-indol-4-amine is Cc1c[nH]c2cccc(N(C)C)c12.
What is the InChIKey of N,N,3-trimethyl-1H-indol-4-amine?
The InChIKey is JTGRUQLIJRIJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-7-12-9-5-4-6-10(11(8)9)13(2)3/h4-7,12H,1-3H3.
What are the key properties of N,N,3-trimethyl-1H-indol-4-amine?
N,N,3-trimethyl-1H-indol-4-amine has a molecular weight of 174.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-1H-indol-4-amine is sourced from PubChem (CID 71336754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).