(1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine

C11H16N2 — CID 117204110

IUPAC(1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine
SMILESCC1CN(C)c2c(CN)cccc21
InChIInChI=1S/C11H16N2/c1-8-7-13(2)11-9(6-12)4-3-5-10(8)11/h3-5,8H,6-7,12H2,1-2H3
InChIKeyXVNYJGNIDVIESI-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.70
Rot. Bonds1

About (1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine

(1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine (PubChem CID 117204110) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine.

Molecular Properties

Compound Name(1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine
PubChem CID117204110
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine
SMILESCC1CN(C)c2c(CN)cccc21
InChIInChI=1S/C11H16N2/c1-8-7-13(2)11-9(6-12)4-3-5-10(8)11/h3-5,8H,6-7,12H2,1-2H3
InChIKeyXVNYJGNIDVIESI-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine?
The IUPAC name of (1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine (CID 117204110) is (1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine.
What is the SMILES notation for (1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine?
The canonical SMILES for (1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine is CC1CN(C)c2c(CN)cccc21.
What is the InChIKey of (1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine?
The InChIKey is XVNYJGNIDVIESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8-7-13(2)11-9(6-12)4-3-5-10(8)11/h3-5,8H,6-7,12H2,1-2H3.
What are the key properties of (1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine?
(1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine has a molecular weight of 176.26 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine is sourced from PubChem (CID 117204110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).