2-amino-1-propoxyguanidine

C4H12N4O — CID 130609787

IUPAC2-amino-1-propoxyguanidine
SMILESCCCONC(N)=NN
InChIInChI=1S/C4H12N4O/c1-2-3-9-8-4(5)7-6/h2-3,6H2,1H3,(H3,5,7,8)
InChIKeyPFNOQFOZSBJOMC-UHFFFAOYSA-N
MW132.17 g/mol
LogP-0.89
Rot. Bonds3

About 2-amino-1-propoxyguanidine

2-amino-1-propoxyguanidine (PubChem CID 130609787) has the molecular formula C4H12N4O and a molecular weight of 132.17 g/mol. Its IUPAC name is 2-amino-1-propoxyguanidine.

Molecular Properties

Compound Name2-amino-1-propoxyguanidine
PubChem CID130609787
Molecular FormulaC4H12N4O
Molecular Weight132.17 g/mol
Exact Mass132.10
IUPAC Name2-amino-1-propoxyguanidine
SMILESCCCONC(N)=NN
InChIInChI=1S/C4H12N4O/c1-2-3-9-8-4(5)7-6/h2-3,6H2,1H3,(H3,5,7,8)
InChIKeyPFNOQFOZSBJOMC-UHFFFAOYSA-N
XLogP-0.89
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-1-(2-hydroxyethoxy)guanidine
CID 154403100
2-(propoxyamino)guanidine
CID 118626334
2-[(E)-(2-fluoro-6-methylphenyl)methylideneamino]-1-propoxyguanidine
CID 172981677
1,2-dipropoxyhydrazine
CID 151105951
methyl 2-oxo-2-(propoxyamino)acetate
CID 15007507
2-amino-1-butoxyguanidine;1-butoxy-2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;2-chlorobenzaldehyde
CID 172950603
1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine
CID 172918159
phosphoric acid;2-(propoxyamino)ethanol
CID 174665335
N-propoxyoctanamide
CID 174987362
2-propoxyethyl N'-aminocarbamimidothioate
CID 106459244
1-(iodoamino)oxypropane
CID 88548400
2-methyl-1-[(9Z,12Z)-octadeca-9,12-dienoxy]guanidine
CID 59516358

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-propoxyguanidine?
The IUPAC name of 2-amino-1-propoxyguanidine (CID 130609787) is 2-amino-1-propoxyguanidine.
What is the SMILES notation for 2-amino-1-propoxyguanidine?
The canonical SMILES for 2-amino-1-propoxyguanidine is CCCONC(N)=NN.
What is the InChIKey of 2-amino-1-propoxyguanidine?
The InChIKey is PFNOQFOZSBJOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4O/c1-2-3-9-8-4(5)7-6/h2-3,6H2,1H3,(H3,5,7,8).
What are the key properties of 2-amino-1-propoxyguanidine?
2-amino-1-propoxyguanidine has a molecular weight of 132.17 g/mol, XLogP of -0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-propoxyguanidine is sourced from PubChem (CID 130609787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).