6-propan-2-yl-2,3-dihydro-1H-inden-5-amine

C12H17N — CID 146503682

IUPAC6-propan-2-yl-2,3-dihydro-1H-inden-5-amine
SMILESCC(C)c1cc2c(cc1N)CCC2
InChIInChI=1S/C12H17N/c1-8(2)11-6-9-4-3-5-10(9)7-12(11)13/h6-8H,3-5,13H2,1-2H3
InChIKeyFRSMKYZJVCNNOS-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.88
Rot. Bonds1

About 6-propan-2-yl-2,3-dihydro-1H-inden-5-amine

6-propan-2-yl-2,3-dihydro-1H-inden-5-amine (PubChem CID 146503682) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 6-propan-2-yl-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name6-propan-2-yl-2,3-dihydro-1H-inden-5-amine
PubChem CID146503682
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name6-propan-2-yl-2,3-dihydro-1H-inden-5-amine
SMILESCC(C)c1cc2c(cc1N)CCC2
InChIInChI=1S/C12H17N/c1-8(2)11-6-9-4-3-5-10(9)7-12(11)13/h6-8H,3-5,13H2,1-2H3
InChIKeyFRSMKYZJVCNNOS-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 6-propan-2-yl-2,3-dihydro-1H-inden-5-amine (CID 146503682) is 6-propan-2-yl-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 6-propan-2-yl-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 6-propan-2-yl-2,3-dihydro-1H-inden-5-amine is CC(C)c1cc2c(cc1N)CCC2.
What is the InChIKey of 6-propan-2-yl-2,3-dihydro-1H-inden-5-amine?
The InChIKey is FRSMKYZJVCNNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-8(2)11-6-9-4-3-5-10(9)7-12(11)13/h6-8H,3-5,13H2,1-2H3.
What are the key properties of 6-propan-2-yl-2,3-dihydro-1H-inden-5-amine?
6-propan-2-yl-2,3-dihydro-1H-inden-5-amine has a molecular weight of 175.27 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 146503682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).