2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol

C13H22N4O — CID 135459839

IUPAC2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol
SMILESNCCN(CCN)CC/N=C/c1ccccc1O
InChIInChI=1S/C13H22N4O/c14-5-8-17(9-6-15)10-7-16-11-12-3-1-2-4-13(12)18/h1-4,11,18H,5-10,14-15H2/b16-11+
InChIKeyJOKQWPKFBLEOJD-LFIBNONCSA-N
MW250.35 g/mol
LogP0.03
Rot. Bonds8

About 2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol

2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol (PubChem CID 135459839) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol.

Molecular Properties

Compound Name2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol
PubChem CID135459839
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol
SMILESNCCN(CCN)CC/N=C/c1ccccc1O
InChIInChI=1S/C13H22N4O/c14-5-8-17(9-6-15)10-7-16-11-12-3-1-2-4-13(12)18/h1-4,11,18H,5-10,14-15H2/b16-11+
InChIKeyJOKQWPKFBLEOJD-LFIBNONCSA-N
XLogP0.03
TPSA87.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol
CID 136504665
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
N',N'-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethane-1,2-diamine
CID 135011278
4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide
CID 163170854
3-[2-[bis[3-[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]-3-oxopropyl]amino]-N-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]propanamide
CID 136851318
bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]azanide;copper(1+)
CID 135987878

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol?
The IUPAC name of 2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol (CID 135459839) is 2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol.
What is the SMILES notation for 2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol?
The canonical SMILES for 2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol is NCCN(CCN)CC/N=C/c1ccccc1O.
What is the InChIKey of 2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol?
The InChIKey is JOKQWPKFBLEOJD-LFIBNONCSA-N. The full InChI is InChI=1S/C13H22N4O/c14-5-8-17(9-6-15)10-7-16-11-12-3-1-2-4-13(12)18/h1-4,11,18H,5-10,14-15H2/b16-11+.
What are the key properties of 2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol?
2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol has a molecular weight of 250.35 g/mol, XLogP of 0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol is sourced from PubChem (CID 135459839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).