1-amino-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine

C10H21N5O — CID 104882426

IUPAC1-amino-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine
SMILESC/N=C(\NN)NC(C)C(=O)N1CCCCC1
InChIInChI=1S/C10H21N5O/c1-8(13-10(12-2)14-11)9(16)15-6-4-3-5-7-15/h8H,3-7,11H2,1-2H3,(H2,12,13,14)
InChIKeySJNCPEHTFGLXAS-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.57
Rot. Bonds2

About 1-amino-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine

1-amino-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine (PubChem CID 104882426) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine
PubChem CID104882426
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name1-amino-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine
SMILESC/N=C(\NN)NC(C)C(=O)N1CCCCC1
InChIInChI=1S/C10H21N5O/c1-8(13-10(12-2)14-11)9(16)15-6-4-3-5-7-15/h8H,3-7,11H2,1-2H3,(H2,12,13,14)
InChIKeySJNCPEHTFGLXAS-UHFFFAOYSA-N
XLogP-0.57
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
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'}

Analyze 1-amino-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine (CID 104882426) is 1-amino-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine is C/N=C(\NN)NC(C)C(=O)N1CCCCC1.
What is the InChIKey of 1-amino-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine?
The InChIKey is SJNCPEHTFGLXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-8(13-10(12-2)14-11)9(16)15-6-4-3-5-7-15/h8H,3-7,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine?
1-amino-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine has a molecular weight of 227.31 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine is sourced from PubChem (CID 104882426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).