3-(aminomethyl)-N-methyl-2,3-dihydro-1H-inden-4-amine

C11H16N2 — CID 112708686

IUPAC3-(aminomethyl)-N-methyl-2,3-dihydro-1H-inden-4-amine
SMILESCNc1cccc2c1C(CN)CC2
InChIInChI=1S/C11H16N2/c1-13-10-4-2-3-8-5-6-9(7-12)11(8)10/h2-4,9,13H,5-7,12H2,1H3
InChIKeyWPBYCHXIVYJYMT-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.72
Rot. Bonds2

About 3-(aminomethyl)-N-methyl-2,3-dihydro-1H-inden-4-amine

3-(aminomethyl)-N-methyl-2,3-dihydro-1H-inden-4-amine (PubChem CID 112708686) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-2,3-dihydro-1H-inden-4-amine
PubChem CID112708686
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-(aminomethyl)-N-methyl-2,3-dihydro-1H-inden-4-amine
SMILESCNc1cccc2c1C(CN)CC2
InChIInChI=1S/C11H16N2/c1-13-10-4-2-3-8-5-6-9(7-12)11(8)10/h2-4,9,13H,5-7,12H2,1H3
InChIKeyWPBYCHXIVYJYMT-UHFFFAOYSA-N
XLogP1.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-2,3-dihydro-1H-inden-4-amine (CID 112708686) is 3-(aminomethyl)-N-methyl-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-2,3-dihydro-1H-inden-4-amine is CNc1cccc2c1C(CN)CC2.
What is the InChIKey of 3-(aminomethyl)-N-methyl-2,3-dihydro-1H-inden-4-amine?
The InChIKey is WPBYCHXIVYJYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-13-10-4-2-3-8-5-6-9(7-12)11(8)10/h2-4,9,13H,5-7,12H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methyl-2,3-dihydro-1H-inden-4-amine?
3-(aminomethyl)-N-methyl-2,3-dihydro-1H-inden-4-amine has a molecular weight of 176.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 112708686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).