2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide

C12H24N2O2 — CID 65258609

IUPAC2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-12(2,11(13)14)6-3-7-16-10-4-8-15-9-5-10/h10H,3-9H2,1-2H3,(H3,13,14)
InChIKeySOBGAUKBMXTNBC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.92
Rot. Bonds6

About 2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide

2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide (PubChem CID 65258609) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide
PubChem CID65258609
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-12(2,11(13)14)6-3-7-16-10-4-8-15-9-5-10/h10H,3-9H2,1-2H3,(H3,13,14)
InChIKeySOBGAUKBMXTNBC-UHFFFAOYSA-N
XLogP1.92
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.92
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 2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide (CID 65258609) is 2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide is [H]/N=C(\N)C(C)(C)CCCOC1CCOCC1.
What is the InChIKey of 2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide?
The InChIKey is SOBGAUKBMXTNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,11(13)14)6-3-7-16-10-4-8-15-9-5-10/h10H,3-9H2,1-2H3,(H3,13,14).
What are the key properties of 2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide?
2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide has a molecular weight of 228.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide is sourced from PubChem (CID 65258609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).