hydrogen peroxide;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine

C18H40N4O3 — CID 167448047

IUPAChydrogen peroxide;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)CC(C)(C)Cn1cc(CNC(C)C)nn1.CC(C)CO.OO
InChIInChI=1S/C14H28N4.C4H10O.H2O2/c1-11(2)7-14(5,6)10-18-9-13(16-17-18)8-15-12(3)4;1-4(2)3-5;1-2/h9,11-12,15H,7-8,10H2,1-6H3;4-5H,3H2,1-2H3;1-2H
InChIKeyDZFCMKZLAZHFGI-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.50
Rot. Bonds8

About hydrogen peroxide;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine

hydrogen peroxide;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine (PubChem CID 167448047) has the molecular formula C18H40N4O3 and a molecular weight of 360.54 g/mol. Its IUPAC name is hydrogen peroxide;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Namehydrogen peroxide;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine
PubChem CID167448047
Molecular FormulaC18H40N4O3
Molecular Weight360.54 g/mol
Exact Mass360.31
IUPAC Namehydrogen peroxide;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)CC(C)(C)Cn1cc(CNC(C)C)nn1.CC(C)CO.OO
InChIInChI=1S/C14H28N4.C4H10O.H2O2/c1-11(2)7-14(5,6)10-18-9-13(16-17-18)8-15-12(3)4;1-4(2)3-5;1-2/h9,11-12,15H,7-8,10H2,1-6H3;4-5H,3H2,1-2H3;1-2H
InChIKeyDZFCMKZLAZHFGI-UHFFFAOYSA-N
XLogP3.50
TPSA103.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of hydrogen peroxide;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine (CID 167448047) is hydrogen peroxide;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for hydrogen peroxide;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for hydrogen peroxide;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine is CC(C)CC(C)(C)Cn1cc(CNC(C)C)nn1.CC(C)CO.OO.
What is the InChIKey of hydrogen peroxide;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine?
The InChIKey is DZFCMKZLAZHFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4.C4H10O.H2O2/c1-11(2)7-14(5,6)10-18-9-13(16-17-18)8-15-12(3)4;1-4(2)3-5;1-2/h9,11-12,15H,7-8,10H2,1-6H3;4-5H,3H2,1-2H3;1-2H.
What are the key properties of hydrogen peroxide;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine?
hydrogen peroxide;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine has a molecular weight of 360.54 g/mol, XLogP of 3.50, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 167448047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).