5,5-dimethoxy-2-methylpentan-2-amine

C8H19NO2 — CID 87871753

IUPAC5,5-dimethoxy-2-methylpentan-2-amine
SMILESCOC(CCC(C)(C)N)OC
InChIInChI=1S/C8H19NO2/c1-8(2,9)6-5-7(10-3)11-4/h7H,5-6,9H2,1-4H3
InChIKeyLWUUNNXHDKHVFJ-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.12
Rot. Bonds5

About 5,5-dimethoxy-2-methylpentan-2-amine

5,5-dimethoxy-2-methylpentan-2-amine (PubChem CID 87871753) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 5,5-dimethoxy-2-methylpentan-2-amine.

Molecular Properties

Compound Name5,5-dimethoxy-2-methylpentan-2-amine
PubChem CID87871753
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name5,5-dimethoxy-2-methylpentan-2-amine
SMILESCOC(CCC(C)(C)N)OC
InChIInChI=1S/C8H19NO2/c1-8(2,9)6-5-7(10-3)11-4/h7H,5-6,9H2,1-4H3
InChIKeyLWUUNNXHDKHVFJ-UHFFFAOYSA-N
XLogP1.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethoxy-2-methylpentan-2-amine?
The IUPAC name of 5,5-dimethoxy-2-methylpentan-2-amine (CID 87871753) is 5,5-dimethoxy-2-methylpentan-2-amine.
What is the SMILES notation for 5,5-dimethoxy-2-methylpentan-2-amine?
The canonical SMILES for 5,5-dimethoxy-2-methylpentan-2-amine is COC(CCC(C)(C)N)OC.
What is the InChIKey of 5,5-dimethoxy-2-methylpentan-2-amine?
The InChIKey is LWUUNNXHDKHVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-8(2,9)6-5-7(10-3)11-4/h7H,5-6,9H2,1-4H3.
What are the key properties of 5,5-dimethoxy-2-methylpentan-2-amine?
5,5-dimethoxy-2-methylpentan-2-amine has a molecular weight of 161.25 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethoxy-2-methylpentan-2-amine is sourced from PubChem (CID 87871753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).