3-[3-[2-[3-(2-ethoxyethoxy)propyl]hydrazinyl]propoxymethyl]pentan-2-amine

C16H37N3O3 — CID 163483055

IUPAC3-[3-[2-[3-(2-ethoxyethoxy)propyl]hydrazinyl]propoxymethyl]pentan-2-amine
SMILESCCOCCOCCCNNCCCOCC(CC)C(C)N
InChIInChI=1S/C16H37N3O3/c1-4-16(15(3)17)14-22-11-7-9-19-18-8-6-10-21-13-12-20-5-2/h15-16,18-19H,4-14,17H2,1-3H3
InChIKeyCGFMHDZEWAZYIM-UHFFFAOYSA-N
MW319.49 g/mol
LogP1.30
Rot. Bonds17

About 3-[3-[2-[3-(2-ethoxyethoxy)propyl]hydrazinyl]propoxymethyl]pentan-2-amine

3-[3-[2-[3-(2-ethoxyethoxy)propyl]hydrazinyl]propoxymethyl]pentan-2-amine (PubChem CID 163483055) has the molecular formula C16H37N3O3 and a molecular weight of 319.49 g/mol. Its IUPAC name is 3-[3-[2-[3-(2-ethoxyethoxy)propyl]hydrazinyl]propoxymethyl]pentan-2-amine.

Molecular Properties

Compound Name3-[3-[2-[3-(2-ethoxyethoxy)propyl]hydrazinyl]propoxymethyl]pentan-2-amine
PubChem CID163483055
Molecular FormulaC16H37N3O3
Molecular Weight319.49 g/mol
Exact Mass319.28
IUPAC Name3-[3-[2-[3-(2-ethoxyethoxy)propyl]hydrazinyl]propoxymethyl]pentan-2-amine
SMILESCCOCCOCCCNNCCCOCC(CC)C(C)N
InChIInChI=1S/C16H37N3O3/c1-4-16(15(3)17)14-22-11-7-9-19-18-8-6-10-21-13-12-20-5-2/h15-16,18-19H,4-14,17H2,1-3H3
InChIKeyCGFMHDZEWAZYIM-UHFFFAOYSA-N
XLogP1.30
TPSA77.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[3-(2-ethoxyethoxy)propyl]hydrazinyl]propoxymethyl]pentan-2-amine?
The IUPAC name of 3-[3-[2-[3-(2-ethoxyethoxy)propyl]hydrazinyl]propoxymethyl]pentan-2-amine (CID 163483055) is 3-[3-[2-[3-(2-ethoxyethoxy)propyl]hydrazinyl]propoxymethyl]pentan-2-amine.
What is the SMILES notation for 3-[3-[2-[3-(2-ethoxyethoxy)propyl]hydrazinyl]propoxymethyl]pentan-2-amine?
The canonical SMILES for 3-[3-[2-[3-(2-ethoxyethoxy)propyl]hydrazinyl]propoxymethyl]pentan-2-amine is CCOCCOCCCNNCCCOCC(CC)C(C)N.
What is the InChIKey of 3-[3-[2-[3-(2-ethoxyethoxy)propyl]hydrazinyl]propoxymethyl]pentan-2-amine?
The InChIKey is CGFMHDZEWAZYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3O3/c1-4-16(15(3)17)14-22-11-7-9-19-18-8-6-10-21-13-12-20-5-2/h15-16,18-19H,4-14,17H2,1-3H3.
What are the key properties of 3-[3-[2-[3-(2-ethoxyethoxy)propyl]hydrazinyl]propoxymethyl]pentan-2-amine?
3-[3-[2-[3-(2-ethoxyethoxy)propyl]hydrazinyl]propoxymethyl]pentan-2-amine has a molecular weight of 319.49 g/mol, XLogP of 1.30, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[3-(2-ethoxyethoxy)propyl]hydrazinyl]propoxymethyl]pentan-2-amine is sourced from PubChem (CID 163483055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).