1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine

C17H26N2 — CID 79741362

IUPAC1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
SMILESCCCC1CCN(C2CCc3cc(N)ccc32)CC1
InChIInChI=1S/C17H26N2/c1-2-3-13-8-10-19(11-9-13)17-7-4-14-12-15(18)5-6-16(14)17/h5-6,12-13,17H,2-4,7-11,18H2,1H3
InChIKeyDSSSCOBYXFEQRP-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.77
Rot. Bonds3

About 1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine

1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 79741362) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
PubChem CID79741362
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
SMILESCCCC1CCN(C2CCc3cc(N)ccc32)CC1
InChIInChI=1S/C17H26N2/c1-2-3-13-8-10-19(11-9-13)17-7-4-14-12-15(18)5-6-16(14)17/h5-6,12-13,17H,2-4,7-11,18H2,1H3
InChIKeyDSSSCOBYXFEQRP-UHFFFAOYSA-N
XLogP3.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.77
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-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine (CID 79741362) is 1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine is CCCC1CCN(C2CCc3cc(N)ccc32)CC1.
What is the InChIKey of 1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is DSSSCOBYXFEQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-3-13-8-10-19(11-9-13)17-7-4-14-12-15(18)5-6-16(14)17/h5-6,12-13,17H,2-4,7-11,18H2,1H3.
What are the key properties of 1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine?
1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 258.41 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 79741362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).