N-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine

C15H33NO2 — CID 55247243

IUPACN-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine
SMILESCCOC(CCN(CC)CC(CC)CC)OCC
InChIInChI=1S/C15H33NO2/c1-6-14(7-2)13-16(8-3)12-11-15(17-9-4)18-10-5/h14-15H,6-13H2,1-5H3
InChIKeyBZLYZSJDHRIGDS-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.53
Rot. Bonds12

About N-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine

N-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine (PubChem CID 55247243) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine
PubChem CID55247243
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC NameN-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine
SMILESCCOC(CCN(CC)CC(CC)CC)OCC
InChIInChI=1S/C15H33NO2/c1-6-14(7-2)13-16(8-3)12-11-15(17-9-4)18-10-5/h14-15H,6-13H2,1-5H3
InChIKeyBZLYZSJDHRIGDS-UHFFFAOYSA-N
XLogP3.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.53
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-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine?
The IUPAC name of N-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine (CID 55247243) is N-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine is CCOC(CCN(CC)CC(CC)CC)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine?
The InChIKey is BZLYZSJDHRIGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-6-14(7-2)13-16(8-3)12-11-15(17-9-4)18-10-5/h14-15H,6-13H2,1-5H3.
What are the key properties of N-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine?
N-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine has a molecular weight of 259.43 g/mol, XLogP of 3.53, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine is sourced from PubChem (CID 55247243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).