1-amino-2-methyl-3-(propanoylamino)guanidine

C5H13N5O — CID 55280595

IUPAC1-amino-2-methyl-3-(propanoylamino)guanidine
SMILESCCC(=O)NN/C(=N/C)NN
InChIInChI=1S/C5H13N5O/c1-3-4(11)9-10-5(7-2)8-6/h3,6H2,1-2H3,(H,9,11)(H2,7,8,10)
InChIKeyUHPDAJUKGZYDNM-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.53
Rot. Bonds1

About 1-amino-2-methyl-3-(propanoylamino)guanidine

1-amino-2-methyl-3-(propanoylamino)guanidine (PubChem CID 55280595) has the molecular formula C5H13N5O and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(propanoylamino)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(propanoylamino)guanidine
PubChem CID55280595
Molecular FormulaC5H13N5O
Molecular Weight159.19 g/mol
Exact Mass159.11
IUPAC Name1-amino-2-methyl-3-(propanoylamino)guanidine
SMILESCCC(=O)NN/C(=N/C)NN
InChIInChI=1S/C5H13N5O/c1-3-4(11)9-10-5(7-2)8-6/h3,6H2,1-2H3,(H,9,11)(H2,7,8,10)
InChIKeyUHPDAJUKGZYDNM-UHFFFAOYSA-N
XLogP-1.53
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

propanehydrazide;dihydrochloride
CID 121342206
ethane;propanehydrazide
CID 143310399
azane;propanehydrazide;hydroiodide
CID 174716911
2-amino-N'-propanoylpropanehydrazide
CID 82111229
1-amino-2,3-dimethylguanidine;hydrochloride
CID 14852961
N-ethyl-2-[[ethylamino(hydrazinyl)methylidene]amino]acetamide
CID 104883987
1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine
CID 104881993
1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine
CID 130948883
3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide
CID 104882342
N-amino-N'-methylpropanimidamide;hydrochloride
CID 161226126
3-methyl-N'-propanoylcyclobutane-1-carbohydrazide
CID 131131894
1-amino-3-(2,2-dimethylbutyl)-2-methylguanidine
CID 103466912

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(propanoylamino)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(propanoylamino)guanidine (CID 55280595) is 1-amino-2-methyl-3-(propanoylamino)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(propanoylamino)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(propanoylamino)guanidine is CCC(=O)NN/C(=N/C)NN.
What is the InChIKey of 1-amino-2-methyl-3-(propanoylamino)guanidine?
The InChIKey is UHPDAJUKGZYDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5O/c1-3-4(11)9-10-5(7-2)8-6/h3,6H2,1-2H3,(H,9,11)(H2,7,8,10).
What are the key properties of 1-amino-2-methyl-3-(propanoylamino)guanidine?
1-amino-2-methyl-3-(propanoylamino)guanidine has a molecular weight of 159.19 g/mol, XLogP of -1.53, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(propanoylamino)guanidine is sourced from PubChem (CID 55280595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).