2-(1-methoxypropan-2-ylideneamino)guanidine

C5H12N4O — CID 76948445

IUPAC2-(1-methoxypropan-2-ylideneamino)guanidine
SMILESCOCC(C)=NN=C(N)N
InChIInChI=1S/C5H12N4O/c1-4(3-10-2)8-9-5(6)7/h3H2,1-2H3,(H4,6,7,9)
InChIKeyJSROJNCPYYADHT-UHFFFAOYSA-N
MW144.18 g/mol
LogP-0.72
Rot. Bonds3

About 2-(1-methoxypropan-2-ylideneamino)guanidine

2-(1-methoxypropan-2-ylideneamino)guanidine (PubChem CID 76948445) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylideneamino)guanidine.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylideneamino)guanidine
PubChem CID76948445
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name2-(1-methoxypropan-2-ylideneamino)guanidine
SMILESCOCC(C)=NN=C(N)N
InChIInChI=1S/C5H12N4O/c1-4(3-10-2)8-9-5(6)7/h3H2,1-2H3,(H4,6,7,9)
InChIKeyJSROJNCPYYADHT-UHFFFAOYSA-N
XLogP-0.72
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Methoxybutan-2-ylideneamino)guanidine
CID 77037770
2-(4-Methoxybutan-2-ylideneamino)guanidine
CID 77060038
2-(3-Methoxybutan-2-ylideneamino)guanidine
CID 103773080

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylideneamino)guanidine?
The IUPAC name of 2-(1-methoxypropan-2-ylideneamino)guanidine (CID 76948445) is 2-(1-methoxypropan-2-ylideneamino)guanidine.
What is the SMILES notation for 2-(1-methoxypropan-2-ylideneamino)guanidine?
The canonical SMILES for 2-(1-methoxypropan-2-ylideneamino)guanidine is COCC(C)=NN=C(N)N.
What is the InChIKey of 2-(1-methoxypropan-2-ylideneamino)guanidine?
The InChIKey is JSROJNCPYYADHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-4(3-10-2)8-9-5(6)7/h3H2,1-2H3,(H4,6,7,9).
What are the key properties of 2-(1-methoxypropan-2-ylideneamino)guanidine?
2-(1-methoxypropan-2-ylideneamino)guanidine has a molecular weight of 144.18 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylideneamino)guanidine is sourced from PubChem (CID 76948445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).