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

C20H39N3O2 — CID 6452810

IUPACN'-(2-aminoethyl)ethane-1,2-diamine;formaldehyde;2-nonylphenol
SMILESC=O.CCCCCCCCCc1ccccc1O.NCCNCCN
InChIInChI=1S/C15H24O.C4H13N3.CH2O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;5-1-3-7-4-2-6;1-2/h9-10,12-13,16H,2-8,11H2,1H3;7H,1-6H2;1H2
InChIKeyOTEJSQUIIRFGBU-UHFFFAOYSA-N
MW353.55 g/mol
LogP2.99
Rot. Bonds12

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

N'-(2-aminoethyl)ethane-1,2-diamine;formaldehyde;2-nonylphenol (PubChem CID 6452810) has the molecular formula C20H39N3O2 and a molecular weight of 353.55 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;formaldehyde;2-nonylphenol.

Molecular Properties

Compound NameN'-(2-aminoethyl)ethane-1,2-diamine;formaldehyde;2-nonylphenol
PubChem CID6452810
Molecular FormulaC20H39N3O2
Molecular Weight353.55 g/mol
Exact Mass353.30
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine;formaldehyde;2-nonylphenol
SMILESC=O.CCCCCCCCCc1ccccc1O.NCCNCCN
InChIInChI=1S/C15H24O.C4H13N3.CH2O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;5-1-3-7-4-2-6;1-2/h9-10,12-13,16H,2-8,11H2,1H3;7H,1-6H2;1H2
InChIKeyOTEJSQUIIRFGBU-UHFFFAOYSA-N
XLogP2.99
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;formaldehyde;2-nonylphenol?
The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;formaldehyde;2-nonylphenol (CID 6452810) is N'-(2-aminoethyl)ethane-1,2-diamine;formaldehyde;2-nonylphenol.
What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;formaldehyde;2-nonylphenol?
The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;formaldehyde;2-nonylphenol is C=O.CCCCCCCCCc1ccccc1O.NCCNCCN.
What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;formaldehyde;2-nonylphenol?
The InChIKey is OTEJSQUIIRFGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C4H13N3.CH2O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;5-1-3-7-4-2-6;1-2/h9-10,12-13,16H,2-8,11H2,1H3;7H,1-6H2;1H2.
What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;formaldehyde;2-nonylphenol?
N'-(2-aminoethyl)ethane-1,2-diamine;formaldehyde;2-nonylphenol has a molecular weight of 353.55 g/mol, XLogP of 2.99, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)ethane-1,2-diamine;formaldehyde;2-nonylphenol is sourced from PubChem (CID 6452810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).