5-cyclohexyloxy-2,2-dimethylpentanimidamide

C13H26N2O — CID 65258694

IUPAC5-cyclohexyloxy-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-13(2,12(14)15)9-6-10-16-11-7-4-3-5-8-11/h11H,3-10H2,1-2H3,(H3,14,15)
InChIKeyOIISATPZAMHYBL-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.08
Rot. Bonds6

About 5-cyclohexyloxy-2,2-dimethylpentanimidamide

5-cyclohexyloxy-2,2-dimethylpentanimidamide (PubChem CID 65258694) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-cyclohexyloxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-cyclohexyloxy-2,2-dimethylpentanimidamide
PubChem CID65258694
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name5-cyclohexyloxy-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-13(2,12(14)15)9-6-10-16-11-7-4-3-5-8-11/h11H,3-10H2,1-2H3,(H3,14,15)
InChIKeyOIISATPZAMHYBL-UHFFFAOYSA-N
XLogP3.08
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.08
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 5-cyclohexyloxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-cyclohexyloxy-2,2-dimethylpentanimidamide (CID 65258694) is 5-cyclohexyloxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-cyclohexyloxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-cyclohexyloxy-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCOC1CCCCC1.
What is the InChIKey of 5-cyclohexyloxy-2,2-dimethylpentanimidamide?
The InChIKey is OIISATPZAMHYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,12(14)15)9-6-10-16-11-7-4-3-5-8-11/h11H,3-10H2,1-2H3,(H3,14,15).
What are the key properties of 5-cyclohexyloxy-2,2-dimethylpentanimidamide?
5-cyclohexyloxy-2,2-dimethylpentanimidamide has a molecular weight of 226.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).