2-methyl-N,N-di(propan-2-yl)propan-2-amine oxide

C10H23NO — CID 58320105

IUPAC2-methyl-N,N-di(propan-2-yl)propan-2-amine oxide
SMILESCC(C)[N+]([O-])(C(C)C)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-8(2)11(12,9(3)4)10(5,6)7/h8-9H,1-7H3
InChIKeySKPZJHJKYRKKPX-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.92
Rot. Bonds2

About 2-methyl-N,N-di(propan-2-yl)propan-2-amine oxide

2-methyl-N,N-di(propan-2-yl)propan-2-amine oxide (PubChem CID 58320105) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-methyl-N,N-di(propan-2-yl)propan-2-amine oxide.

Molecular Properties

Compound Name2-methyl-N,N-di(propan-2-yl)propan-2-amine oxide
PubChem CID58320105
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-methyl-N,N-di(propan-2-yl)propan-2-amine oxide
SMILESCC(C)[N+]([O-])(C(C)C)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-8(2)11(12,9(3)4)10(5,6)7/h8-9H,1-7H3
InChIKeySKPZJHJKYRKKPX-UHFFFAOYSA-N
XLogP2.92
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-di(propan-2-yl)propan-2-amine oxide?
The IUPAC name of 2-methyl-N,N-di(propan-2-yl)propan-2-amine oxide (CID 58320105) is 2-methyl-N,N-di(propan-2-yl)propan-2-amine oxide.
What is the SMILES notation for 2-methyl-N,N-di(propan-2-yl)propan-2-amine oxide?
The canonical SMILES for 2-methyl-N,N-di(propan-2-yl)propan-2-amine oxide is CC(C)[N+]([O-])(C(C)C)C(C)(C)C.
What is the InChIKey of 2-methyl-N,N-di(propan-2-yl)propan-2-amine oxide?
The InChIKey is SKPZJHJKYRKKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-8(2)11(12,9(3)4)10(5,6)7/h8-9H,1-7H3.
What are the key properties of 2-methyl-N,N-di(propan-2-yl)propan-2-amine oxide?
2-methyl-N,N-di(propan-2-yl)propan-2-amine oxide has a molecular weight of 173.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-di(propan-2-yl)propan-2-amine oxide is sourced from PubChem (CID 58320105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).