N,N-dimethylmethanamine;1-hydroperoxydodecane

C15H35NO2 — CID 174656380

IUPACN,N-dimethylmethanamine;1-hydroperoxydodecane
SMILESCCCCCCCCCCCCOO.CN(C)C
InChIInChI=1S/C12H26O2.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-14-13;1-4(2)3/h13H,2-12H2,1H3;1-3H3
InChIKeyYRAXHPYQYCGTGS-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.57
Rot. Bonds11

About N,N-dimethylmethanamine;1-hydroperoxydodecane

N,N-dimethylmethanamine;1-hydroperoxydodecane (PubChem CID 174656380) has the molecular formula C15H35NO2 and a molecular weight of 261.45 g/mol. Its IUPAC name is N,N-dimethylmethanamine;1-hydroperoxydodecane.

Molecular Properties

Compound NameN,N-dimethylmethanamine;1-hydroperoxydodecane
PubChem CID174656380
Molecular FormulaC15H35NO2
Molecular Weight261.45 g/mol
Exact Mass261.27
IUPAC NameN,N-dimethylmethanamine;1-hydroperoxydodecane
SMILESCCCCCCCCCCCCOO.CN(C)C
InChIInChI=1S/C12H26O2.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-14-13;1-4(2)3/h13H,2-12H2,1H3;1-3H3
InChIKeyYRAXHPYQYCGTGS-UHFFFAOYSA-N
XLogP4.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
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

1-hydroperoxyheptadecane
CID 123893325
magnesium;hydride;1-hydroperoxypentane
CID 175424420
carbonic acid;1-hydroperoxydocosane
CID 175324088
bis(1-hydroperoxytetradecane) dicarbonate
CID 18381164
cadmium;bis(1-hydroperoxybutane)
CID 134995939
hafnium;1-hydroperoxybutane
CID 159843277
1-(2-hydroperoxyethoxy)tridecane
CID 87578926
butanedioic acid;1-hydroperoxyoctadecane
CID 154975384
28-hydroperoxyoctacosan-13-ol
CID 150235554
N,N-dimethylmethanamine;tridecane
CID 174432259
1-hydroperoxybutane;molecular hydrogen
CID 174325237
18-hydroperoxyoctadeca-6,9-diene
CID 54146645

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;1-hydroperoxydodecane?
The IUPAC name of N,N-dimethylmethanamine;1-hydroperoxydodecane (CID 174656380) is N,N-dimethylmethanamine;1-hydroperoxydodecane.
What is the SMILES notation for N,N-dimethylmethanamine;1-hydroperoxydodecane?
The canonical SMILES for N,N-dimethylmethanamine;1-hydroperoxydodecane is CCCCCCCCCCCCOO.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;1-hydroperoxydodecane?
The InChIKey is YRAXHPYQYCGTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-14-13;1-4(2)3/h13H,2-12H2,1H3;1-3H3.
What are the key properties of N,N-dimethylmethanamine;1-hydroperoxydodecane?
N,N-dimethylmethanamine;1-hydroperoxydodecane has a molecular weight of 261.45 g/mol, XLogP of 4.57, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;1-hydroperoxydodecane is sourced from PubChem (CID 174656380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).