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

C16H24N2 — CID 79741366

IUPAC1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
SMILESCC1CCC(C)N(C2CCc3cc(N)ccc32)C1
InChIInChI=1S/C16H24N2/c1-11-3-4-12(2)18(10-11)16-8-5-13-9-14(17)6-7-15(13)16/h6-7,9,11-12,16H,3-5,8,10,17H2,1-2H3
InChIKeyBYYJELNEGYREGA-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.38
Rot. Bonds1

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

1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 79741366) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
PubChem CID79741366
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
SMILESCC1CCC(C)N(C2CCc3cc(N)ccc32)C1
InChIInChI=1S/C16H24N2/c1-11-3-4-12(2)18(10-11)16-8-5-13-9-14(17)6-7-15(13)16/h6-7,9,11-12,16H,3-5,8,10,17H2,1-2H3
InChIKeyBYYJELNEGYREGA-UHFFFAOYSA-N
XLogP3.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine (CID 79741366) is 1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine is CC1CCC(C)N(C2CCc3cc(N)ccc32)C1.
What is the InChIKey of 1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is BYYJELNEGYREGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11-3-4-12(2)18(10-11)16-8-5-13-9-14(17)6-7-15(13)16/h6-7,9,11-12,16H,3-5,8,10,17H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine?
1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 244.38 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 79741366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).