1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine

C16H25N3 — CID 83009052

IUPAC1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC1CCCC(C)N1NC1CCc2cc(N)ccc21
InChIInChI=1S/C16H25N3/c1-11-4-3-5-12(2)19(11)18-16-9-6-13-10-14(17)7-8-15(13)16/h7-8,10-12,16,18H,3-6,9,17H2,1-2H3
InChIKeyNQVULNAWEJHHDS-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.02
Rot. Bonds2

About 1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 83009052) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID83009052
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC1CCCC(C)N1NC1CCc2cc(N)ccc21
InChIInChI=1S/C16H25N3/c1-11-4-3-5-12(2)19(11)18-16-9-6-13-10-14(17)7-8-15(13)16/h7-8,10-12,16,18H,3-6,9,17H2,1-2H3
InChIKeyNQVULNAWEJHHDS-UHFFFAOYSA-N
XLogP3.02
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine (CID 83009052) is 1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine is CC1CCCC(C)N1NC1CCc2cc(N)ccc21.
What is the InChIKey of 1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is NQVULNAWEJHHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11-4-3-5-12(2)19(11)18-16-9-6-13-10-14(17)7-8-15(13)16/h7-8,10-12,16,18H,3-6,9,17H2,1-2H3.
What are the key properties of 1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 259.40 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 83009052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).