N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine

C15H35N3O — CID 102991675

IUPACN'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine
SMILESCCOC(CN)CCN(CC)CCCN(CC)CC
InChIInChI=1S/C15H35N3O/c1-5-17(6-2)11-9-12-18(7-3)13-10-15(14-16)19-8-4/h15H,5-14,16H2,1-4H3
InChIKeyXLNQOWUWICWZCK-UHFFFAOYSA-N
MW273.46 g/mol
LogP1.79
Rot. Bonds13

About N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine

N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine (PubChem CID 102991675) has the molecular formula C15H35N3O and a molecular weight of 273.46 g/mol. Its IUPAC name is N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine
PubChem CID102991675
Molecular FormulaC15H35N3O
Molecular Weight273.46 g/mol
Exact Mass273.28
IUPAC NameN'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine
SMILESCCOC(CN)CCN(CC)CCCN(CC)CC
InChIInChI=1S/C15H35N3O/c1-5-17(6-2)11-9-12-18(7-3)13-10-15(14-16)19-8-4/h15H,5-14,16H2,1-4H3
InChIKeyXLNQOWUWICWZCK-UHFFFAOYSA-N
XLogP1.79
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine?
The IUPAC name of N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine (CID 102991675) is N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine.
What is the SMILES notation for N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine?
The canonical SMILES for N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine is CCOC(CN)CCN(CC)CCCN(CC)CC.
What is the InChIKey of N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine?
The InChIKey is XLNQOWUWICWZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3O/c1-5-17(6-2)11-9-12-18(7-3)13-10-15(14-16)19-8-4/h15H,5-14,16H2,1-4H3.
What are the key properties of N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine?
N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine has a molecular weight of 273.46 g/mol, XLogP of 1.79, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine is sourced from PubChem (CID 102991675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).