1-(diaminomethylidene)-2-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine

C16H26N6O3 — CID 168605799

IUPAC1-(diaminomethylidene)-2-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1/N=C(\N)N=C(N)N
InChIInChI=1S/C16H26N6O3/c1-3-24-13-10-12(22-5-7-23-8-6-22)14(25-4-2)9-11(13)20-16(19)21-15(17)18/h9-10H,3-8H2,1-2H3,(H6,17,18,19,20,21)
InChIKeyNYRNNVCIIZSCBC-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.54
Rot. Bonds6

About 1-(diaminomethylidene)-2-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine

1-(diaminomethylidene)-2-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine (PubChem CID 168605799) has the molecular formula C16H26N6O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine
PubChem CID168605799
Molecular FormulaC16H26N6O3
Molecular Weight350.42 g/mol
Exact Mass350.21
IUPAC Name1-(diaminomethylidene)-2-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1/N=C(\N)N=C(N)N
InChIInChI=1S/C16H26N6O3/c1-3-24-13-10-12(22-5-7-23-8-6-22)14(25-4-2)9-11(13)20-16(19)21-15(17)18/h9-10H,3-8H2,1-2H3,(H6,17,18,19,20,21)
InChIKeyNYRNNVCIIZSCBC-UHFFFAOYSA-N
XLogP0.54
TPSA133.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine (CID 168605799) is 1-(diaminomethylidene)-2-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine is CCOc1cc(N2CCOCC2)c(OCC)cc1/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine?
The InChIKey is NYRNNVCIIZSCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O3/c1-3-24-13-10-12(22-5-7-23-8-6-22)14(25-4-2)9-11(13)20-16(19)21-15(17)18/h9-10H,3-8H2,1-2H3,(H6,17,18,19,20,21).
What are the key properties of 1-(diaminomethylidene)-2-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine?
1-(diaminomethylidene)-2-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine has a molecular weight of 350.42 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2,5-diethoxy-4-morpholin-4-ylphenyl)guanidine is sourced from PubChem (CID 168605799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).