1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine

C12H20N6O — CID 168605994

IUPAC1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine
SMILESCCN(CCO)c1ccc(/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C12H20N6O/c1-2-18(7-8-19)10-5-3-9(4-6-10)16-12(15)17-11(13)14/h3-6,19H,2,7-8H2,1H3,(H6,13,14,15,16,17)
InChIKeyOQWOAXKQDJEOMM-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.28
Rot. Bonds5

About 1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine

1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine (PubChem CID 168605994) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine
PubChem CID168605994
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine
SMILESCCN(CCO)c1ccc(/N=C(\N)N=C(N)N)cc1
InChIInChI=1S/C12H20N6O/c1-2-18(7-8-19)10-5-3-9(4-6-10)16-12(15)17-11(13)14/h3-6,19H,2,7-8H2,1H3,(H6,13,14,15,16,17)
InChIKeyOQWOAXKQDJEOMM-UHFFFAOYSA-N
XLogP-0.28
TPSA126.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine (CID 168605994) is 1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine is CCN(CCO)c1ccc(/N=C(\N)N=C(N)N)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine?
The InChIKey is OQWOAXKQDJEOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-2-18(7-8-19)10-5-3-9(4-6-10)16-12(15)17-11(13)14/h3-6,19H,2,7-8H2,1H3,(H6,13,14,15,16,17).
What are the key properties of 1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine?
1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine has a molecular weight of 264.33 g/mol, XLogP of -0.28, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine is sourced from PubChem (CID 168605994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).