1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine

C14H20N6O2 — CID 168605232

IUPAC1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H20N6O2/c15-13(16)19-14(17)18-10-3-5-11(6-4-10)22-9-12(21)20-7-1-2-8-20/h3-6H,1-2,7-9H2,(H6,15,16,17,18,19)
InChIKeyKHNGBUUIIXVNPL-UHFFFAOYSA-N
MW304.35 g/mol
LogP-0.09
Rot. Bonds4

About 1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine

1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine (PubChem CID 168605232) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine
PubChem CID168605232
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H20N6O2/c15-13(16)19-14(17)18-10-3-5-11(6-4-10)22-9-12(21)20-7-1-2-8-20/h3-6H,1-2,7-9H2,(H6,15,16,17,18,19)
InChIKeyKHNGBUUIIXVNPL-UHFFFAOYSA-N
XLogP-0.09
TPSA132.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.09
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-(2-oxo-2-pyrrolidin-1-ylethoxy)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

2-(4-isocyanatophenoxy)-1-pyrrolidin-1-ylethanone
CID 169355284
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
4-[2-(azepan-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 24689917
2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide
CID 169365684
2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 170879092
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide
CID 9120802
1-pyrrolidin-1-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 71996858
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine (CID 168605232) is 1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine is NC(N)=N/C(N)=N/c1ccc(OCC(=O)N2CCCC2)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine?
The InChIKey is KHNGBUUIIXVNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c15-13(16)19-14(17)18-10-3-5-11(6-4-10)22-9-12(21)20-7-1-2-8-20/h3-6H,1-2,7-9H2,(H6,15,16,17,18,19).
What are the key properties of 1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine?
1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine has a molecular weight of 304.35 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine is sourced from PubChem (CID 168605232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).