[1-amino-4-(1-amino-2-methylpropan-2-yl)oxy-2,2-dimethylbutyl]oxidanium

C10H25N2O2+ — CID 163265900

IUPAC[1-amino-4-(1-amino-2-methylpropan-2-yl)oxy-2,2-dimethylbutyl]oxidanium
SMILESCC(C)(CN)OCCC(C)(C)C(N)[OH2+]
InChIInChI=1S/C10H24N2O2/c1-9(2,8(12)13)5-6-14-10(3,4)7-11/h8,13H,5-7,11-12H2,1-4H3/p+1
InChIKeyGFDVHWSUYKNYLN-UHFFFAOYSA-O
MW205.32 g/mol
LogP0.17
Rot. Bonds6

About [1-amino-4-(1-amino-2-methylpropan-2-yl)oxy-2,2-dimethylbutyl]oxidanium

[1-amino-4-(1-amino-2-methylpropan-2-yl)oxy-2,2-dimethylbutyl]oxidanium (PubChem CID 163265900) has the molecular formula C10H25N2O2+ and a molecular weight of 205.32 g/mol. Its IUPAC name is [1-amino-4-(1-amino-2-methylpropan-2-yl)oxy-2,2-dimethylbutyl]oxidanium.

Molecular Properties

Compound Name[1-amino-4-(1-amino-2-methylpropan-2-yl)oxy-2,2-dimethylbutyl]oxidanium
PubChem CID163265900
Molecular FormulaC10H25N2O2+
Molecular Weight205.32 g/mol
Exact Mass205.19
IUPAC Name[1-amino-4-(1-amino-2-methylpropan-2-yl)oxy-2,2-dimethylbutyl]oxidanium
SMILESCC(C)(CN)OCCC(C)(C)C(N)[OH2+]
InChIInChI=1S/C10H24N2O2/c1-9(2,8(12)13)5-6-14-10(3,4)7-11/h8,13H,5-7,11-12H2,1-4H3/p+1
InChIKeyGFDVHWSUYKNYLN-UHFFFAOYSA-O
XLogP0.17
TPSA84.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-amino-4-(1-amino-2-methylpropan-2-yl)oxy-2,2-dimethylbutyl]oxidanium?
The IUPAC name of [1-amino-4-(1-amino-2-methylpropan-2-yl)oxy-2,2-dimethylbutyl]oxidanium (CID 163265900) is [1-amino-4-(1-amino-2-methylpropan-2-yl)oxy-2,2-dimethylbutyl]oxidanium.
What is the SMILES notation for [1-amino-4-(1-amino-2-methylpropan-2-yl)oxy-2,2-dimethylbutyl]oxidanium?
The canonical SMILES for [1-amino-4-(1-amino-2-methylpropan-2-yl)oxy-2,2-dimethylbutyl]oxidanium is CC(C)(CN)OCCC(C)(C)C(N)[OH2+].
What is the InChIKey of [1-amino-4-(1-amino-2-methylpropan-2-yl)oxy-2,2-dimethylbutyl]oxidanium?
The InChIKey is GFDVHWSUYKNYLN-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H24N2O2/c1-9(2,8(12)13)5-6-14-10(3,4)7-11/h8,13H,5-7,11-12H2,1-4H3/p+1.
What are the key properties of [1-amino-4-(1-amino-2-methylpropan-2-yl)oxy-2,2-dimethylbutyl]oxidanium?
[1-amino-4-(1-amino-2-methylpropan-2-yl)oxy-2,2-dimethylbutyl]oxidanium has a molecular weight of 205.32 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-4-(1-amino-2-methylpropan-2-yl)oxy-2,2-dimethylbutyl]oxidanium is sourced from PubChem (CID 163265900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).