5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine

C12H17N — CID 142804209

IUPAC5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine
SMILESCCc1cc2c(cc1C)CC(N)C2
InChIInChI=1S/C12H17N/c1-3-9-5-11-7-12(13)6-10(11)4-8(9)2/h4-5,12H,3,6-7,13H2,1-2H3
InChIKeyMVXUNMMMNQHDEY-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.98
Rot. Bonds1

About 5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine

5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 142804209) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine
PubChem CID142804209
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine
SMILESCCc1cc2c(cc1C)CC(N)C2
InChIInChI=1S/C12H17N/c1-3-9-5-11-7-12(13)6-10(11)4-8(9)2/h4-5,12H,3,6-7,13H2,1-2H3
InChIKeyMVXUNMMMNQHDEY-UHFFFAOYSA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine (CID 142804209) is 5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine is CCc1cc2c(cc1C)CC(N)C2.
What is the InChIKey of 5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is MVXUNMMMNQHDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-9-5-11-7-12(13)6-10(11)4-8(9)2/h4-5,12H,3,6-7,13H2,1-2H3.
What are the key properties of 5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine?
5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 175.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 142804209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).