[(1-methoxy-3-methylbutan-2-ylidene)amino]urea

C7H15N3O2 — CID 79005898

IUPAC[(1-methoxy-3-methylbutan-2-ylidene)amino]urea
SMILESCOCC(=NNC(N)=O)C(C)C
InChIInChI=1S/C7H15N3O2/c1-5(2)6(4-12-3)9-10-7(8)11/h5H,4H2,1-3H3,(H3,8,10,11)
InChIKeyNSFTUEAGMHLCGZ-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.31
Rot. Bonds4

About [(1-methoxy-3-methylbutan-2-ylidene)amino]urea

[(1-methoxy-3-methylbutan-2-ylidene)amino]urea (PubChem CID 79005898) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is [(1-methoxy-3-methylbutan-2-ylidene)amino]urea.

Molecular Properties

Compound Name[(1-methoxy-3-methylbutan-2-ylidene)amino]urea
PubChem CID79005898
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name[(1-methoxy-3-methylbutan-2-ylidene)amino]urea
SMILESCOCC(=NNC(N)=O)C(C)C
InChIInChI=1S/C7H15N3O2/c1-5(2)6(4-12-3)9-10-7(8)11/h5H,4H2,1-3H3,(H3,8,10,11)
InChIKeyNSFTUEAGMHLCGZ-UHFFFAOYSA-N
XLogP0.31
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1-methoxy-3-methylbutan-2-ylidene)amino]urea?
The IUPAC name of [(1-methoxy-3-methylbutan-2-ylidene)amino]urea (CID 79005898) is [(1-methoxy-3-methylbutan-2-ylidene)amino]urea.
What is the SMILES notation for [(1-methoxy-3-methylbutan-2-ylidene)amino]urea?
The canonical SMILES for [(1-methoxy-3-methylbutan-2-ylidene)amino]urea is COCC(=NNC(N)=O)C(C)C.
What is the InChIKey of [(1-methoxy-3-methylbutan-2-ylidene)amino]urea?
The InChIKey is NSFTUEAGMHLCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-5(2)6(4-12-3)9-10-7(8)11/h5H,4H2,1-3H3,(H3,8,10,11).
What are the key properties of [(1-methoxy-3-methylbutan-2-ylidene)amino]urea?
[(1-methoxy-3-methylbutan-2-ylidene)amino]urea has a molecular weight of 173.22 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methoxy-3-methylbutan-2-ylidene)amino]urea is sourced from PubChem (CID 79005898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).