1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine

C12H18N2 — CID 117204112

IUPAC1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine
SMILESCNCc1cccc2c1N(C)CC2C
InChIInChI=1S/C12H18N2/c1-9-8-14(3)12-10(7-13-2)5-4-6-11(9)12/h4-6,9,13H,7-8H2,1-3H3
InChIKeyKDGIGFUFFHBMFI-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.96
Rot. Bonds2

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

1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine (PubChem CID 117204112) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine
PubChem CID117204112
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine
SMILESCNCc1cccc2c1N(C)CC2C
InChIInChI=1S/C12H18N2/c1-9-8-14(3)12-10(7-13-2)5-4-6-11(9)12/h4-6,9,13H,7-8H2,1-3H3
InChIKeyKDGIGFUFFHBMFI-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine (CID 117204112) is 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine is CNCc1cccc2c1N(C)CC2C.
What is the InChIKey of 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine?
The InChIKey is KDGIGFUFFHBMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-8-14(3)12-10(7-13-2)5-4-6-11(9)12/h4-6,9,13H,7-8H2,1-3H3.
What are the key properties of 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine?
1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine has a molecular weight of 190.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,3-dihydroindol-7-yl)-N-methylmethanamine is sourced from PubChem (CID 117204112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).