2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine

C8H18N4O — CID 59223306

IUPAC2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine
SMILESCC(C)C(=O)[C@H](N)CCN=C(N)N
InChIInChI=1S/C8H18N4O/c1-5(2)7(13)6(9)3-4-12-8(10)11/h5-6H,3-4,9H2,1-2H3,(H4,10,11,12)/t6-/m1/s1
InChIKeyDGPOJYMSMCHFMH-ZCFIWIBFSA-N
MW186.26 g/mol
LogP-0.80
Rot. Bonds5

About 2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine

2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine (PubChem CID 59223306) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine.

Molecular Properties

Compound Name2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine
PubChem CID59223306
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine
SMILESCC(C)C(=O)[C@H](N)CCN=C(N)N
InChIInChI=1S/C8H18N4O/c1-5(2)7(13)6(9)3-4-12-8(10)11/h5-6H,3-4,9H2,1-2H3,(H4,10,11,12)/t6-/m1/s1
InChIKeyDGPOJYMSMCHFMH-ZCFIWIBFSA-N
XLogP-0.80
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3R)-3-amino-5-methyl-4-oxohexyl]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 2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine?
The IUPAC name of 2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine (CID 59223306) is 2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine.
What is the SMILES notation for 2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine?
The canonical SMILES for 2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine is CC(C)C(=O)[C@H](N)CCN=C(N)N.
What is the InChIKey of 2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine?
The InChIKey is DGPOJYMSMCHFMH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H18N4O/c1-5(2)7(13)6(9)3-4-12-8(10)11/h5-6H,3-4,9H2,1-2H3,(H4,10,11,12)/t6-/m1/s1.
What are the key properties of 2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine?
2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine has a molecular weight of 186.26 g/mol, XLogP of -0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine is sourced from PubChem (CID 59223306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).