1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine

C13H19N — CID 117281618

IUPAC1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine
SMILESCC(N)Cc1ccc2c(c1)C(C)CC2
InChIInChI=1S/C13H19N/c1-9-3-5-12-6-4-11(7-10(2)14)8-13(9)12/h4,6,8-10H,3,5,7,14H2,1-2H3
InChIKeyPQXQODSZONTVMC-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.63
Rot. Bonds2

About 1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine

1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine (PubChem CID 117281618) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine
PubChem CID117281618
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine
SMILESCC(N)Cc1ccc2c(c1)C(C)CC2
InChIInChI=1S/C13H19N/c1-9-3-5-12-6-4-11(7-10(2)14)8-13(9)12/h4,6,8-10H,3,5,7,14H2,1-2H3
InChIKeyPQXQODSZONTVMC-UHFFFAOYSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine?
The IUPAC name of 1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine (CID 117281618) is 1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine.
What is the SMILES notation for 1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine?
The canonical SMILES for 1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine is CC(N)Cc1ccc2c(c1)C(C)CC2.
What is the InChIKey of 1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine?
The InChIKey is PQXQODSZONTVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9-3-5-12-6-4-11(7-10(2)14)8-13(9)12/h4,6,8-10H,3,5,7,14H2,1-2H3.
What are the key properties of 1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine?
1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2,3-dihydro-1H-inden-5-yl)propan-2-amine is sourced from PubChem (CID 117281618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).