1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine

C15H21N — CID 65405517

IUPAC1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1CCc2ccccc21
InChIInChI=1S/C15H21N/c1-2-3-4-9-15(16)14-11-10-12-7-5-6-8-13(12)14/h2,5-8,14-15H,1,3-4,9-11,16H2
InChIKeyUSLQPUJOQXHARW-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.40
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine

1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine (PubChem CID 65405517) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine
PubChem CID65405517
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1CCc2ccccc21
InChIInChI=1S/C15H21N/c1-2-3-4-9-15(16)14-11-10-12-7-5-6-8-13(12)14/h2,5-8,14-15H,1,3-4,9-11,16H2
InChIKeyUSLQPUJOQXHARW-UHFFFAOYSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine (CID 65405517) is 1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine is C=CCCCC(N)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine?
The InChIKey is USLQPUJOQXHARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-2-3-4-9-15(16)14-11-10-12-7-5-6-8-13(12)14/h2,5-8,14-15H,1,3-4,9-11,16H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine?
1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine is sourced from PubChem (CID 65405517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).