N-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide

C10H18N4O3 — CID 144762773

IUPACN-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide
SMILESC/N=C(/N=C\N(C)C1CCC(CO)O1)NC=O
InChIInChI=1S/C10H18N4O3/c1-11-10(13-7-16)12-6-14(2)9-4-3-8(5-15)17-9/h6-9,15H,3-5H2,1-2H3,(H,11,13,16)/b12-6-
InChIKeyRBLIRHSCGQCKEF-SDQBBNPISA-N
MW242.28 g/mol
LogP-0.82
Rot. Bonds4

About N-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide

N-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide (PubChem CID 144762773) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide.

Molecular Properties

Compound NameN-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide
PubChem CID144762773
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC NameN-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide
SMILESC/N=C(/N=C\N(C)C1CCC(CO)O1)NC=O
InChIInChI=1S/C10H18N4O3/c1-11-10(13-7-16)12-6-14(2)9-4-3-8(5-15)17-9/h6-9,15H,3-5H2,1-2H3,(H,11,13,16)/b12-6-
InChIKeyRBLIRHSCGQCKEF-SDQBBNPISA-N
XLogP-0.82
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide 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

(E)-2-bromo-N-formyl-3-[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]prop-2-enamide
CID 178018389
(Z)-3-[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]prop-2-enal
CID 171628813
[(2R)-5-(dimethylamino)oxolan-2-yl]methanol
CID 59319470
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
[5-(nitrosomethyl)oxolan-2-yl]methanol
CID 129146326
1-[(E)-2-chloro-3-oxoprop-1-enyl]-1-[5-(hydroxymethyl)oxolan-2-yl]-3-methylurea;difluoromethane
CID 144900365
[4-fluoro-5-[[(E)-2-fluoroprop-1-enyl]-methylamino]oxolan-2-yl]methanol;N-formylformamide
CID 169252325
(Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide
CID 142117800
methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate
CID 143037549
[6-[amino(methyl)amino]oxan-2-yl]methanol
CID 67062802
6-(hydroxymethyl)oxane-2-carbaldehyde
CID 154093777
[5-[[(Z)-3-formamido-3-oxoprop-1-enyl]-methylamino]oxolan-2-yl]methyl 2-fluorobenzoate;methyl hydrogen carbonate
CID 172580563

Frequently Asked Questions

What is the IUPAC name of N-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide?
The IUPAC name of N-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide (CID 144762773) is N-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide.
What is the SMILES notation for N-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide?
The canonical SMILES for N-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide is C/N=C(/N=C\N(C)C1CCC(CO)O1)NC=O.
What is the InChIKey of N-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide?
The InChIKey is RBLIRHSCGQCKEF-SDQBBNPISA-N. The full InChI is InChI=1S/C10H18N4O3/c1-11-10(13-7-16)12-6-14(2)9-4-3-8(5-15)17-9/h6-9,15H,3-5H2,1-2H3,(H,11,13,16)/b12-6-.
What are the key properties of N-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide?
N-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide has a molecular weight of 242.28 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide is sourced from PubChem (CID 144762773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).