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

C15H31N5O — CID 175514439

IUPACN'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;2-methylphenol
SMILESCc1ccccc1O.NCCNCCNCCNCCN
InChIInChI=1S/C8H23N5.C7H8O/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-6-4-2-3-5-7(6)8/h11-13H,1-10H2;2-5,8H,1H3
InChIKeyUFUIVPPAUJGNHU-UHFFFAOYSA-N
MW297.45 g/mol
LogP-0.63
Rot. Bonds10

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

N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;2-methylphenol (PubChem CID 175514439) has the molecular formula C15H31N5O and a molecular weight of 297.45 g/mol. Its IUPAC name is N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;2-methylphenol.

Molecular Properties

Compound NameN'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;2-methylphenol
PubChem CID175514439
Molecular FormulaC15H31N5O
Molecular Weight297.45 g/mol
Exact Mass297.25
IUPAC NameN'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;2-methylphenol
SMILESCc1ccccc1O.NCCNCCNCCNCCN
InChIInChI=1S/C8H23N5.C7H8O/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-6-4-2-3-5-7(6)8/h11-13H,1-10H2;2-5,8H,1H3
InChIKeyUFUIVPPAUJGNHU-UHFFFAOYSA-N
XLogP-0.63
TPSA108.36 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.45
LogP ≤ 5-0.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene
CID 70451906
hydrazine;2-methylphenol
CID 174667823
methanamine;2-methylphenol
CID 19359053
zinc 2-methylphenol
CID 10374903
ethane;2-methylphenol
CID 54326461
ethanol;bis(2-methylphenol);titanium
CID 22238726
cyclohexane;2-methylphenol
CID 70504255
2-(2-hydroxyethylamino)ethanol;1,2-xylene
CID 174810256
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
hydroperoxymethane;2-methylphenol
CID 87131667
2,3-dimethylphenol;bis(2-methylphenol)
CID 67655814

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;2-methylphenol?
The IUPAC name of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;2-methylphenol (CID 175514439) is N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;2-methylphenol.
What is the SMILES notation for N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;2-methylphenol?
The canonical SMILES for N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;2-methylphenol is Cc1ccccc1O.NCCNCCNCCNCCN.
What is the InChIKey of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;2-methylphenol?
The InChIKey is UFUIVPPAUJGNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H23N5.C7H8O/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-6-4-2-3-5-7(6)8/h11-13H,1-10H2;2-5,8H,1H3.
What are the key properties of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;2-methylphenol?
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;2-methylphenol has a molecular weight of 297.45 g/mol, XLogP of -0.63, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;2-methylphenol is sourced from PubChem (CID 175514439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).