N'-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-N,N,N'-trimethylmethanediamine

C17H37N3 — CID 20776250

IUPACN'-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-N,N,N'-trimethylmethanediamine
SMILESCCC1(C)CC(N(C)CN(C)C)C(C)C(C)(CC)N1C
InChIInChI=1S/C17H37N3/c1-10-16(4)12-15(19(8)13-18(6)7)14(3)17(5,11-2)20(16)9/h14-15H,10-13H2,1-9H3
InChIKeyBCRTXFGBHGORBK-UHFFFAOYSA-N
MW283.50 g/mol
LogP3.11
Rot. Bonds5

About N'-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-N,N,N'-trimethylmethanediamine

N'-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-N,N,N'-trimethylmethanediamine (PubChem CID 20776250) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N'-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-N,N,N'-trimethylmethanediamine.

Molecular Properties

Compound NameN'-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-N,N,N'-trimethylmethanediamine
PubChem CID20776250
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN'-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-N,N,N'-trimethylmethanediamine
SMILESCCC1(C)CC(N(C)CN(C)C)C(C)C(C)(CC)N1C
InChIInChI=1S/C17H37N3/c1-10-16(4)12-15(19(8)13-18(6)7)14(3)17(5,11-2)20(16)9/h14-15H,10-13H2,1-9H3
InChIKeyBCRTXFGBHGORBK-UHFFFAOYSA-N
XLogP3.11
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-N,N,N'-trimethylmethanediamine?
The IUPAC name of N'-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-N,N,N'-trimethylmethanediamine (CID 20776250) is N'-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-N,N,N'-trimethylmethanediamine.
What is the SMILES notation for N'-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-N,N,N'-trimethylmethanediamine?
The canonical SMILES for N'-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-N,N,N'-trimethylmethanediamine is CCC1(C)CC(N(C)CN(C)C)C(C)C(C)(CC)N1C.
What is the InChIKey of N'-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-N,N,N'-trimethylmethanediamine?
The InChIKey is BCRTXFGBHGORBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-10-16(4)12-15(19(8)13-18(6)7)14(3)17(5,11-2)20(16)9/h14-15H,10-13H2,1-9H3.
What are the key properties of N'-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-N,N,N'-trimethylmethanediamine?
N'-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-N,N,N'-trimethylmethanediamine has a molecular weight of 283.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-N,N,N'-trimethylmethanediamine is sourced from PubChem (CID 20776250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).