1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine

C13H18N6O2 — CID 11971736

IUPAC1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H18N6O2/c14-12(15)18-13(16)17-10-3-1-9(2-4-10)11(20)19-5-7-21-8-6-19/h1-4H,5-8H2,(H6,14,15,16,17,18)
InChIKeyRLBWSUKJWKWRGX-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.62
Rot. Bonds2

About 1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine

1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine (PubChem CID 11971736) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine
PubChem CID11971736
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H18N6O2/c14-12(15)18-13(16)17-10-3-1-9(2-4-10)11(20)19-5-7-21-8-6-19/h1-4H,5-8H2,(H6,14,15,16,17,18)
InChIKeyRLBWSUKJWKWRGX-UHFFFAOYSA-N
XLogP-0.62
TPSA132.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine
CID 168604379
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea
CID 168533261
1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine
CID 168606000
methyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]benzoate
CID 168600995
3-[[amino-(3-aminopiperidin-1-yl)methylidene]amino]-2-imino-3-[4-(morpholine-4-carbonyl)phenyl]iminopropanamide
CID 123612887
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
morpholin-4-yl-[4-(3-piperidin-1-ylazetidine-1-carbonyl)phenyl]methanone
CID 91828611
[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 4-(diaminomethylideneamino)benzoate
CID 10549475

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine (CID 11971736) is 1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine is NC(N)=N/C(N)=N/c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine?
The InChIKey is RLBWSUKJWKWRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c14-12(15)18-13(16)17-10-3-1-9(2-4-10)11(20)19-5-7-21-8-6-19/h1-4H,5-8H2,(H6,14,15,16,17,18).
What are the key properties of 1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine?
1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine has a molecular weight of 290.33 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine is sourced from PubChem (CID 11971736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).