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

C16H24N2 — CID 113365202

IUPAC3-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCC1CCC(C)N(C2CC(N)c3ccccc32)C1
InChIInChI=1S/C16H24N2/c1-11-7-8-12(2)18(10-11)16-9-15(17)13-5-3-4-6-14(13)16/h3-6,11-12,15-16H,7-10,17H2,1-2H3
InChIKeyGDBARRYGJQKCDJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.25
Rot. Bonds1

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

3-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 113365202) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID113365202
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCC1CCC(C)N(C2CC(N)c3ccccc32)C1
InChIInChI=1S/C16H24N2/c1-11-7-8-12(2)18(10-11)16-9-15(17)13-5-3-4-6-14(13)16/h3-6,11-12,15-16H,7-10,17H2,1-2H3
InChIKeyGDBARRYGJQKCDJ-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Rasagiline
CID 3052776
(1S)-2,3-Dihydro-N-2-propyn-1-yl-1H-inden-1-amine
CID 5289310
Dimefadane
CID 21760
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (-)-
CID 3065151
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (+)-
CID 3065150
N-methyl-2,3-dihydro-1H-inden-1-amine
CID 16774798
N-Methyl-1(R)-aminoindan
CID 5494442
N-benzyl-N-isobutylpiperidin-4-amine
CID 44411431
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-phenyl-1-propyl-, (4a-alpha,5-alpha,9b-alpha)-
CID 55875
Racemic rasagiline
CID 122316
1-(9H-Fluoren-9-yl)piperazine
CID 410205
Dimefadane hydrochloride
CID 517910

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 3-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine (CID 113365202) is 3-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 3-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 3-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine is CC1CCC(C)N(C2CC(N)c3ccccc32)C1.
What is the InChIKey of 3-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GDBARRYGJQKCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11-7-8-12(2)18(10-11)16-9-15(17)13-5-3-4-6-14(13)16/h3-6,11-12,15-16H,7-10,17H2,1-2H3.
What are the key properties of 3-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine?
3-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 113365202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).