hydrogen peroxide;N-propylpropan-1-amine

C6H17NO2 — CID 87070039

IUPAChydrogen peroxide;N-propylpropan-1-amine
SMILESCCCNCCC.OO
InChIInChI=1S/C6H15N.H2O2/c1-3-5-7-6-4-2;1-2/h7H,3-6H2,1-2H3;1-2H
InChIKeyLMWDUBJOCPOZHL-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.41
Rot. Bonds4

About hydrogen peroxide;N-propylpropan-1-amine

hydrogen peroxide;N-propylpropan-1-amine (PubChem CID 87070039) has the molecular formula C6H17NO2 and a molecular weight of 135.21 g/mol. Its IUPAC name is hydrogen peroxide;N-propylpropan-1-amine.

Molecular Properties

Compound Namehydrogen peroxide;N-propylpropan-1-amine
PubChem CID87070039
Molecular FormulaC6H17NO2
Molecular Weight135.21 g/mol
Exact Mass135.13
IUPAC Namehydrogen peroxide;N-propylpropan-1-amine
SMILESCCCNCCC.OO
InChIInChI=1S/C6H15N.H2O2/c1-3-5-7-6-4-2;1-2/h7H,3-6H2,1-2H3;1-2H
InChIKeyLMWDUBJOCPOZHL-UHFFFAOYSA-N
XLogP1.41
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tripropylammonium hydroxide
CID 21903335
Dipropylazanium
CID 3451520
N-propylpropan-1-amine;sulfurous acid
CID 12202990
Dibutylazanium hydroxide
CID 20080343
Dipropylazanium hydroxide
CID 20080349
Dipropylazanium;hydrogen sulfite
CID 21663709
N-ethylpropan-1-amine;hydroxylamine
CID 21940599
hydrogen peroxide;N-propan-2-ylpropan-2-amine
CID 87069926
hydrogen peroxide;bis(N-propylpropan-1-amine)
CID 87070038
N-butylbutan-1-amine;hydrogen peroxide
CID 87070251
bis(N-ethylethanamine);hydrogen peroxide
CID 87070576
N-ethylethanamine;hydrogen peroxide
CID 87070577

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;N-propylpropan-1-amine?
The IUPAC name of hydrogen peroxide;N-propylpropan-1-amine (CID 87070039) is hydrogen peroxide;N-propylpropan-1-amine.
What is the SMILES notation for hydrogen peroxide;N-propylpropan-1-amine?
The canonical SMILES for hydrogen peroxide;N-propylpropan-1-amine is CCCNCCC.OO.
What is the InChIKey of hydrogen peroxide;N-propylpropan-1-amine?
The InChIKey is LMWDUBJOCPOZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.H2O2/c1-3-5-7-6-4-2;1-2/h7H,3-6H2,1-2H3;1-2H.
What are the key properties of hydrogen peroxide;N-propylpropan-1-amine?
hydrogen peroxide;N-propylpropan-1-amine has a molecular weight of 135.21 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;N-propylpropan-1-amine is sourced from PubChem (CID 87070039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).