6-(3-methoxypropoxy)-2,2-dimethylhexanimidamide

C12H26N2O2 — CID 106712398

IUPAC6-(3-methoxypropoxy)-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOCCCOC
InChIInChI=1S/C12H26N2O2/c1-12(2,11(13)14)7-4-5-9-16-10-6-8-15-3/h4-10H2,1-3H3,(H3,13,14)
InChIKeyCNZRNFNVTBFKCM-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.17
Rot. Bonds10

About 6-(3-methoxypropoxy)-2,2-dimethylhexanimidamide

6-(3-methoxypropoxy)-2,2-dimethylhexanimidamide (PubChem CID 106712398) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 6-(3-methoxypropoxy)-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(3-methoxypropoxy)-2,2-dimethylhexanimidamide
PubChem CID106712398
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name6-(3-methoxypropoxy)-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOCCCOC
InChIInChI=1S/C12H26N2O2/c1-12(2,11(13)14)7-4-5-9-16-10-6-8-15-3/h4-10H2,1-3H3,(H3,13,14)
InChIKeyCNZRNFNVTBFKCM-UHFFFAOYSA-N
XLogP2.17
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.17
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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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropoxy)-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(3-methoxypropoxy)-2,2-dimethylhexanimidamide (CID 106712398) is 6-(3-methoxypropoxy)-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(3-methoxypropoxy)-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(3-methoxypropoxy)-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCOCCCOC.
What is the InChIKey of 6-(3-methoxypropoxy)-2,2-dimethylhexanimidamide?
The InChIKey is CNZRNFNVTBFKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12(2,11(13)14)7-4-5-9-16-10-6-8-15-3/h4-10H2,1-3H3,(H3,13,14).
What are the key properties of 6-(3-methoxypropoxy)-2,2-dimethylhexanimidamide?
6-(3-methoxypropoxy)-2,2-dimethylhexanimidamide has a molecular weight of 230.35 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropoxy)-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106712398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).