(2,6-dimethyl-1H-indol-3-yl)methanamine

C11H14N2 — CID 82411351

IUPAC(2,6-dimethyl-1H-indol-3-yl)methanamine
SMILESCc1ccc2c(CN)c(C)[nH]c2c1
InChIInChI=1S/C11H14N2/c1-7-3-4-9-10(6-12)8(2)13-11(9)5-7/h3-5,13H,6,12H2,1-2H3
InChIKeySOKXPIBMSAXWRQ-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.24
Rot. Bonds1

About (2,6-dimethyl-1H-indol-3-yl)methanamine

(2,6-dimethyl-1H-indol-3-yl)methanamine (PubChem CID 82411351) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (2,6-dimethyl-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name(2,6-dimethyl-1H-indol-3-yl)methanamine
PubChem CID82411351
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(2,6-dimethyl-1H-indol-3-yl)methanamine
SMILESCc1ccc2c(CN)c(C)[nH]c2c1
InChIInChI=1S/C11H14N2/c1-7-3-4-9-10(6-12)8(2)13-11(9)5-7/h3-5,13H,6,12H2,1-2H3
InChIKeySOKXPIBMSAXWRQ-UHFFFAOYSA-N
XLogP2.24
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.24
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 (2,6-dimethyl-1H-indol-3-yl)methanamine?
The IUPAC name of (2,6-dimethyl-1H-indol-3-yl)methanamine (CID 82411351) is (2,6-dimethyl-1H-indol-3-yl)methanamine.
What is the SMILES notation for (2,6-dimethyl-1H-indol-3-yl)methanamine?
The canonical SMILES for (2,6-dimethyl-1H-indol-3-yl)methanamine is Cc1ccc2c(CN)c(C)[nH]c2c1.
What is the InChIKey of (2,6-dimethyl-1H-indol-3-yl)methanamine?
The InChIKey is SOKXPIBMSAXWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-7-3-4-9-10(6-12)8(2)13-11(9)5-7/h3-5,13H,6,12H2,1-2H3.
What are the key properties of (2,6-dimethyl-1H-indol-3-yl)methanamine?
(2,6-dimethyl-1H-indol-3-yl)methanamine has a molecular weight of 174.25 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-1H-indol-3-yl)methanamine is sourced from PubChem (CID 82411351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).