2-methyl-3-(2-methylcyclohexyl)oxypropanimidamide

C11H22N2O — CID 43368534

IUPAC2-methyl-3-(2-methylcyclohexyl)oxypropanimidamide
SMILES[H]/N=C(\N)C(C)COC1CCCCC1C
InChIInChI=1S/C11H22N2O/c1-8-5-3-4-6-10(8)14-7-9(2)11(12)13/h8-10H,3-7H2,1-2H3,(H3,12,13)
InChIKeyPHLFEJNOLIIQDP-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.15
Rot. Bonds4

About 2-methyl-3-(2-methylcyclohexyl)oxypropanimidamide

2-methyl-3-(2-methylcyclohexyl)oxypropanimidamide (PubChem CID 43368534) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-methyl-3-(2-methylcyclohexyl)oxypropanimidamide.

Molecular Properties

Compound Name2-methyl-3-(2-methylcyclohexyl)oxypropanimidamide
PubChem CID43368534
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-methyl-3-(2-methylcyclohexyl)oxypropanimidamide
SMILES[H]/N=C(\N)C(C)COC1CCCCC1C
InChIInChI=1S/C11H22N2O/c1-8-5-3-4-6-10(8)14-7-9(2)11(12)13/h8-10H,3-7H2,1-2H3,(H3,12,13)
InChIKeyPHLFEJNOLIIQDP-UHFFFAOYSA-N
XLogP2.15
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-methyl-3-(2-methylcyclohexyl)oxypropanimidamide?
The IUPAC name of 2-methyl-3-(2-methylcyclohexyl)oxypropanimidamide (CID 43368534) is 2-methyl-3-(2-methylcyclohexyl)oxypropanimidamide.
What is the SMILES notation for 2-methyl-3-(2-methylcyclohexyl)oxypropanimidamide?
The canonical SMILES for 2-methyl-3-(2-methylcyclohexyl)oxypropanimidamide is [H]/N=C(\N)C(C)COC1CCCCC1C.
What is the InChIKey of 2-methyl-3-(2-methylcyclohexyl)oxypropanimidamide?
The InChIKey is PHLFEJNOLIIQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8-5-3-4-6-10(8)14-7-9(2)11(12)13/h8-10H,3-7H2,1-2H3,(H3,12,13).
What are the key properties of 2-methyl-3-(2-methylcyclohexyl)oxypropanimidamide?
2-methyl-3-(2-methylcyclohexyl)oxypropanimidamide has a molecular weight of 198.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylcyclohexyl)oxypropanimidamide is sourced from PubChem (CID 43368534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).