6-(3-methoxycyclohexyl)oxy-2,2-dimethylhexanimidamide

C15H30N2O2 — CID 106712445

IUPAC6-(3-methoxycyclohexyl)oxy-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOC1CCCC(OC)C1
InChIInChI=1S/C15H30N2O2/c1-15(2,14(16)17)9-4-5-10-19-13-8-6-7-12(11-13)18-3/h12-13H,4-11H2,1-3H3,(H3,16,17)
InChIKeyMSUKOEVLWXLBHA-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.09
Rot. Bonds8

About 6-(3-methoxycyclohexyl)oxy-2,2-dimethylhexanimidamide

6-(3-methoxycyclohexyl)oxy-2,2-dimethylhexanimidamide (PubChem CID 106712445) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 6-(3-methoxycyclohexyl)oxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(3-methoxycyclohexyl)oxy-2,2-dimethylhexanimidamide
PubChem CID106712445
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name6-(3-methoxycyclohexyl)oxy-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOC1CCCC(OC)C1
InChIInChI=1S/C15H30N2O2/c1-15(2,14(16)17)9-4-5-10-19-13-8-6-7-12(11-13)18-3/h12-13H,4-11H2,1-3H3,(H3,16,17)
InChIKeyMSUKOEVLWXLBHA-UHFFFAOYSA-N
XLogP3.09
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

4-(3-Methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide
CID 65251235
5-(3-Methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide
CID 65258172
5-Cyclohexyloxy-2,2-dimethylpentanimidamide
CID 65258694
2-[1-[(3-Methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide
CID 65492162
N'-hydroxy-4-(3-methoxycyclohexyl)oxy-2,2-dimethylbutanimidamide
CID 77062455
N'-hydroxy-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide
CID 77063111
N'-hydroxy-6-(3-methoxycyclohexyl)oxy-2,2-dimethylhexanimidamide
CID 106711854
6-Cyclohexyloxy-2,2-dimethylhexanimidamide
CID 106712305
2,2-Dimethyl-6-propan-2-yloxyhexanimidamide
CID 106712323
6-Butan-2-yloxy-2,2-dimethylhexanimidamide
CID 106712397
6-(3-Methoxypropoxy)-2,2-dimethylhexanimidamide
CID 106712398
6-(2,6-Dimethyloxan-4-yl)oxy-2,2-dimethylhexanimidamide
CID 106712483

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxycyclohexyl)oxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(3-methoxycyclohexyl)oxy-2,2-dimethylhexanimidamide (CID 106712445) is 6-(3-methoxycyclohexyl)oxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(3-methoxycyclohexyl)oxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(3-methoxycyclohexyl)oxy-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCOC1CCCC(OC)C1.
What is the InChIKey of 6-(3-methoxycyclohexyl)oxy-2,2-dimethylhexanimidamide?
The InChIKey is MSUKOEVLWXLBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-15(2,14(16)17)9-4-5-10-19-13-8-6-7-12(11-13)18-3/h12-13H,4-11H2,1-3H3,(H3,16,17).
What are the key properties of 6-(3-methoxycyclohexyl)oxy-2,2-dimethylhexanimidamide?
6-(3-methoxycyclohexyl)oxy-2,2-dimethylhexanimidamide has a molecular weight of 270.42 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxycyclohexyl)oxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106712445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).