N'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine

C13H23N3O — CID 57348311

IUPACN'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine
SMILESCCON(CCNCCN)Cc1ccccc1
InChIInChI=1S/C13H23N3O/c1-2-17-16(11-10-15-9-8-14)12-13-6-4-3-5-7-13/h3-7,15H,2,8-12,14H2,1H3
InChIKeyYNYLZVWZRMORKY-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.99
Rot. Bonds9

About N'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine

N'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine (PubChem CID 57348311) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine
PubChem CID57348311
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine
SMILESCCON(CCNCCN)Cc1ccccc1
InChIInChI=1S/C13H23N3O/c1-2-17-16(11-10-15-9-8-14)12-13-6-4-3-5-7-13/h3-7,15H,2,8-12,14H2,1H3
InChIKeyYNYLZVWZRMORKY-UHFFFAOYSA-N
XLogP0.99
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine (CID 57348311) is N'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine is CCON(CCNCCN)Cc1ccccc1.
What is the InChIKey of N'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine?
The InChIKey is YNYLZVWZRMORKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-17-16(11-10-15-9-8-14)12-13-6-4-3-5-7-13/h3-7,15H,2,8-12,14H2,1H3.
What are the key properties of N'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine?
N'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine has a molecular weight of 237.35 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[benzyl(ethoxy)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 57348311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).