2,2-dimethyl-N-(2-propan-2-yloxyethyl)oxan-4-amine

C12H25NO2 — CID 83032992

IUPAC2,2-dimethyl-N-(2-propan-2-yloxyethyl)oxan-4-amine
SMILESCC(C)OCCNC1CCOC(C)(C)C1
InChIInChI=1S/C12H25NO2/c1-10(2)14-8-6-13-11-5-7-15-12(3,4)9-11/h10-11,13H,5-9H2,1-4H3
InChIKeyKRPBENXSKHHUIS-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds5

About 2,2-dimethyl-N-(2-propan-2-yloxyethyl)oxan-4-amine

2,2-dimethyl-N-(2-propan-2-yloxyethyl)oxan-4-amine (PubChem CID 83032992) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-propan-2-yloxyethyl)oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-propan-2-yloxyethyl)oxan-4-amine
PubChem CID83032992
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2,2-dimethyl-N-(2-propan-2-yloxyethyl)oxan-4-amine
SMILESCC(C)OCCNC1CCOC(C)(C)C1
InChIInChI=1S/C12H25NO2/c1-10(2)14-8-6-13-11-5-7-15-12(3,4)9-11/h10-11,13H,5-9H2,1-4H3
InChIKeyKRPBENXSKHHUIS-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-propan-2-yloxyethyl)oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-(2-propan-2-yloxyethyl)oxan-4-amine (CID 83032992) is 2,2-dimethyl-N-(2-propan-2-yloxyethyl)oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-propan-2-yloxyethyl)oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-propan-2-yloxyethyl)oxan-4-amine is CC(C)OCCNC1CCOC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-N-(2-propan-2-yloxyethyl)oxan-4-amine?
The InChIKey is KRPBENXSKHHUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)14-8-6-13-11-5-7-15-12(3,4)9-11/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(2-propan-2-yloxyethyl)oxan-4-amine?
2,2-dimethyl-N-(2-propan-2-yloxyethyl)oxan-4-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-propan-2-yloxyethyl)oxan-4-amine is sourced from PubChem (CID 83032992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).