N'-(2-aminoethyl)ethane-1,2-diamine;2-nonylphenol

C19H37N3O — CID 6455750

IUPACN'-(2-aminoethyl)ethane-1,2-diamine;2-nonylphenol
SMILESCCCCCCCCCc1ccccc1O.NCCNCCN
InChIInChI=1S/C15H24O.C4H13N3/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;5-1-3-7-4-2-6/h9-10,12-13,16H,2-8,11H2,1H3;7H,1-6H2
InChIKeyRAAHUNANUQVROX-UHFFFAOYSA-N
MW323.53 g/mol
LogP3.18
Rot. Bonds12

About N'-(2-aminoethyl)ethane-1,2-diamine;2-nonylphenol

N'-(2-aminoethyl)ethane-1,2-diamine;2-nonylphenol (PubChem CID 6455750) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;2-nonylphenol.

Molecular Properties

Compound NameN'-(2-aminoethyl)ethane-1,2-diamine;2-nonylphenol
PubChem CID6455750
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine;2-nonylphenol
SMILESCCCCCCCCCc1ccccc1O.NCCNCCN
InChIInChI=1S/C15H24O.C4H13N3/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;5-1-3-7-4-2-6/h9-10,12-13,16H,2-8,11H2,1H3;7H,1-6H2
InChIKeyRAAHUNANUQVROX-UHFFFAOYSA-N
XLogP3.18
TPSA84.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2-aminoethyl)ethane-1,2-diamine;2-nonylphenol 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'-(2-aminoethyl)ethane-1,2-diamine;2-nonylphenol?
The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;2-nonylphenol (CID 6455750) is N'-(2-aminoethyl)ethane-1,2-diamine;2-nonylphenol.
What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;2-nonylphenol?
The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;2-nonylphenol is CCCCCCCCCc1ccccc1O.NCCNCCN.
What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;2-nonylphenol?
The InChIKey is RAAHUNANUQVROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C4H13N3/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;5-1-3-7-4-2-6/h9-10,12-13,16H,2-8,11H2,1H3;7H,1-6H2.
What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;2-nonylphenol?
N'-(2-aminoethyl)ethane-1,2-diamine;2-nonylphenol has a molecular weight of 323.53 g/mol, XLogP of 3.18, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)ethane-1,2-diamine;2-nonylphenol is sourced from PubChem (CID 6455750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).