N-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine

C17H37N3O — CID 20538481

IUPACN-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine
SMILESCCC1(CC)CC(NCCOCCN)CC(CC)(CC)N1
InChIInChI=1S/C17H37N3O/c1-5-16(6-2)13-15(19-10-12-21-11-9-18)14-17(7-3,8-4)20-16/h15,19-20H,5-14,18H2,1-4H3
InChIKeyRRCJVOWHSZDUEG-UHFFFAOYSA-N
MW299.50 g/mol
LogP2.42
Rot. Bonds10

About N-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine

N-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine (PubChem CID 20538481) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine
PubChem CID20538481
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine
SMILESCCC1(CC)CC(NCCOCCN)CC(CC)(CC)N1
InChIInChI=1S/C17H37N3O/c1-5-16(6-2)13-15(19-10-12-21-11-9-18)14-17(7-3,8-4)20-16/h15,19-20H,5-14,18H2,1-4H3
InChIKeyRRCJVOWHSZDUEG-UHFFFAOYSA-N
XLogP2.42
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine (CID 20538481) is N-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine is CCC1(CC)CC(NCCOCCN)CC(CC)(CC)N1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine?
The InChIKey is RRCJVOWHSZDUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-5-16(6-2)13-15(19-10-12-21-11-9-18)14-17(7-3,8-4)20-16/h15,19-20H,5-14,18H2,1-4H3.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine?
N-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine has a molecular weight of 299.50 g/mol, XLogP of 2.42, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-2,2,6,6-tetraethylpiperidin-4-amine is sourced from PubChem (CID 20538481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).