[4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide

C11H14N4O2 — CID 71543129

IUPAC[4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide
SMILESN#C/N=N/c1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C11H14N4O2/c12-9-13-14-10-1-3-11(4-2-10)15(5-7-16)6-8-17/h1-4,16-17H,5-8H2/b14-13+
InChIKeyDQORDJXSVPKCOO-BUHFOSPRSA-N
MW234.26 g/mol
LogP1.04
Rot. Bonds6

About [4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide

[4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide (PubChem CID 71543129) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is [4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide.

Molecular Properties

Compound Name[4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide
PubChem CID71543129
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name[4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide
SMILESN#C/N=N/c1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C11H14N4O2/c12-9-13-14-10-1-3-11(4-2-10)15(5-7-16)6-8-17/h1-4,16-17H,5-8H2/b14-13+
InChIKeyDQORDJXSVPKCOO-BUHFOSPRSA-N
XLogP1.04
TPSA92.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide?
The IUPAC name of [4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide (CID 71543129) is [4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide.
What is the SMILES notation for [4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide?
The canonical SMILES for [4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide is N#C/N=N/c1ccc(N(CCO)CCO)cc1.
What is the InChIKey of [4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide?
The InChIKey is DQORDJXSVPKCOO-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-9-13-14-10-1-3-11(4-2-10)15(5-7-16)6-8-17/h1-4,16-17H,5-8H2/b14-13+.
What are the key properties of [4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide?
[4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide has a molecular weight of 234.26 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide is sourced from PubChem (CID 71543129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).