2-[(4R)-4,6-dimethyl-5-oxoheptyl]guanidine

C10H21N3O — CID 88556885

IUPAC2-[(4R)-4,6-dimethyl-5-oxoheptyl]guanidine
SMILESCC(C)C(=O)[C@H](C)CCCN=C(N)N
InChIInChI=1S/C10H21N3O/c1-7(2)9(14)8(3)5-4-6-13-10(11)12/h7-8H,4-6H2,1-3H3,(H4,11,12,13)/t8-/m1/s1
InChIKeyXSJOILVIURCCRW-MRVPVSSYSA-N
MW199.30 g/mol
LogP0.90
Rot. Bonds6

About 2-[(4R)-4,6-dimethyl-5-oxoheptyl]guanidine

2-[(4R)-4,6-dimethyl-5-oxoheptyl]guanidine (PubChem CID 88556885) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[(4R)-4,6-dimethyl-5-oxoheptyl]guanidine.

Molecular Properties

Compound Name2-[(4R)-4,6-dimethyl-5-oxoheptyl]guanidine
PubChem CID88556885
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[(4R)-4,6-dimethyl-5-oxoheptyl]guanidine
SMILESCC(C)C(=O)[C@H](C)CCCN=C(N)N
InChIInChI=1S/C10H21N3O/c1-7(2)9(14)8(3)5-4-6-13-10(11)12/h7-8H,4-6H2,1-3H3,(H4,11,12,13)/t8-/m1/s1
InChIKeyXSJOILVIURCCRW-MRVPVSSYSA-N
XLogP0.90
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4R)-4,6-dimethyl-5-oxoheptyl]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-[(4R)-4,6-dimethyl-5-oxoheptyl]guanidine?
The IUPAC name of 2-[(4R)-4,6-dimethyl-5-oxoheptyl]guanidine (CID 88556885) is 2-[(4R)-4,6-dimethyl-5-oxoheptyl]guanidine.
What is the SMILES notation for 2-[(4R)-4,6-dimethyl-5-oxoheptyl]guanidine?
The canonical SMILES for 2-[(4R)-4,6-dimethyl-5-oxoheptyl]guanidine is CC(C)C(=O)[C@H](C)CCCN=C(N)N.
What is the InChIKey of 2-[(4R)-4,6-dimethyl-5-oxoheptyl]guanidine?
The InChIKey is XSJOILVIURCCRW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(2)9(14)8(3)5-4-6-13-10(11)12/h7-8H,4-6H2,1-3H3,(H4,11,12,13)/t8-/m1/s1.
What are the key properties of 2-[(4R)-4,6-dimethyl-5-oxoheptyl]guanidine?
2-[(4R)-4,6-dimethyl-5-oxoheptyl]guanidine has a molecular weight of 199.30 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4,6-dimethyl-5-oxoheptyl]guanidine is sourced from PubChem (CID 88556885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).