2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine

C12H17N — CID 79729666

IUPAC2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(C)c2c1CC(C)C2N
InChIInChI=1S/C12H17N/c1-7-4-5-8(2)11-10(7)6-9(3)12(11)13/h4-5,9,12H,6,13H2,1-3H3
InChIKeyATYKIDOCTRMKBP-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.50
Rot. Bonds

About 2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine

2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 79729666) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID79729666
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(C)c2c1CC(C)C2N
InChIInChI=1S/C12H17N/c1-7-4-5-8(2)11-10(7)6-9(3)12(11)13/h4-5,9,12H,6,13H2,1-3H3
InChIKeyATYKIDOCTRMKBP-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine (CID 79729666) is 2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine is Cc1ccc(C)c2c1CC(C)C2N.
What is the InChIKey of 2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ATYKIDOCTRMKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-7-4-5-8(2)11-10(7)6-9(3)12(11)13/h4-5,9,12H,6,13H2,1-3H3.
What are the key properties of 2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine?
2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 175.28 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79729666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).