2-(7-methyl-6-oxooctyl)guanidine

C10H21N3O — CID 59223302

IUPAC2-(7-methyl-6-oxooctyl)guanidine
SMILESCC(C)C(=O)CCCCCN=C(N)N
InChIInChI=1S/C10H21N3O/c1-8(2)9(14)6-4-3-5-7-13-10(11)12/h8H,3-7H2,1-2H3,(H4,11,12,13)
InChIKeyOOJBWUWGTGUQLJ-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.05
Rot. Bonds7

About 2-(7-methyl-6-oxooctyl)guanidine

2-(7-methyl-6-oxooctyl)guanidine (PubChem CID 59223302) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(7-methyl-6-oxooctyl)guanidine.

Molecular Properties

Compound Name2-(7-methyl-6-oxooctyl)guanidine
PubChem CID59223302
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(7-methyl-6-oxooctyl)guanidine
SMILESCC(C)C(=O)CCCCCN=C(N)N
InChIInChI=1S/C10H21N3O/c1-8(2)9(14)6-4-3-5-7-13-10(11)12/h8H,3-7H2,1-2H3,(H4,11,12,13)
InChIKeyOOJBWUWGTGUQLJ-UHFFFAOYSA-N
XLogP1.05
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.05
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-6-oxooctyl)guanidine?
The IUPAC name of 2-(7-methyl-6-oxooctyl)guanidine (CID 59223302) is 2-(7-methyl-6-oxooctyl)guanidine.
What is the SMILES notation for 2-(7-methyl-6-oxooctyl)guanidine?
The canonical SMILES for 2-(7-methyl-6-oxooctyl)guanidine is CC(C)C(=O)CCCCCN=C(N)N.
What is the InChIKey of 2-(7-methyl-6-oxooctyl)guanidine?
The InChIKey is OOJBWUWGTGUQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)9(14)6-4-3-5-7-13-10(11)12/h8H,3-7H2,1-2H3,(H4,11,12,13).
What are the key properties of 2-(7-methyl-6-oxooctyl)guanidine?
2-(7-methyl-6-oxooctyl)guanidine has a molecular weight of 199.30 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-6-oxooctyl)guanidine is sourced from PubChem (CID 59223302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).