N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-methylphenol

C13H26N4O — CID 3062898

IUPACN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-methylphenol
SMILESCc1ccccc1O.NCCNCCNCCN
InChIInChI=1S/C7H8O.C6H18N4/c1-6-4-2-3-5-7(6)8;7-1-3-9-5-6-10-4-2-8/h2-5,8H,1H3;9-10H,1-8H2
InChIKeyODJPMNXXGZETCA-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.22
Rot. Bonds7

About N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-methylphenol

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-methylphenol (PubChem CID 3062898) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-methylphenol.

Molecular Properties

Compound NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-methylphenol
PubChem CID3062898
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-methylphenol
SMILESCc1ccccc1O.NCCNCCNCCN
InChIInChI=1S/C7H8O.C6H18N4/c1-6-4-2-3-5-7(6)8;7-1-3-9-5-6-10-4-2-8/h2-5,8H,1H3;9-10H,1-8H2
InChIKeyODJPMNXXGZETCA-UHFFFAOYSA-N
XLogP-0.22
TPSA96.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.22
H-Bond Donors ≤ 55
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-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-methylphenol?
The IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-methylphenol (CID 3062898) is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-methylphenol.
What is the SMILES notation for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-methylphenol?
The canonical SMILES for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-methylphenol is Cc1ccccc1O.NCCNCCNCCN.
What is the InChIKey of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-methylphenol?
The InChIKey is ODJPMNXXGZETCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C6H18N4/c1-6-4-2-3-5-7(6)8;7-1-3-9-5-6-10-4-2-8/h2-5,8H,1H3;9-10H,1-8H2.
What are the key properties of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-methylphenol?
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-methylphenol has a molecular weight of 254.38 g/mol, XLogP of -0.22, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-methylphenol is sourced from PubChem (CID 3062898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).