2-methoxypropan-2-yl(tridecan-7-yl)diazene

C17H36N2O — CID 21387067

IUPAC2-methoxypropan-2-yl(tridecan-7-yl)diazene
SMILESCCCCCCC(CCCCCC)/N=N/C(C)(C)OC
InChIInChI=1S/C17H36N2O/c1-6-8-10-12-14-16(15-13-11-9-7-2)18-19-17(3,4)20-5/h16H,6-15H2,1-5H3/b19-18+
InChIKeyZNGJTYGELAEKKL-VHEBQXMUSA-N
MW284.49 g/mol
LogP6.13
Rot. Bonds13

About 2-methoxypropan-2-yl(tridecan-7-yl)diazene

2-methoxypropan-2-yl(tridecan-7-yl)diazene (PubChem CID 21387067) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-methoxypropan-2-yl(tridecan-7-yl)diazene.

Molecular Properties

Compound Name2-methoxypropan-2-yl(tridecan-7-yl)diazene
PubChem CID21387067
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-methoxypropan-2-yl(tridecan-7-yl)diazene
SMILESCCCCCCC(CCCCCC)/N=N/C(C)(C)OC
InChIInChI=1S/C17H36N2O/c1-6-8-10-12-14-16(15-13-11-9-7-2)18-19-17(3,4)20-5/h16H,6-15H2,1-5H3/b19-18+
InChIKeyZNGJTYGELAEKKL-VHEBQXMUSA-N
XLogP6.13
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-methoxypropan-2-yl(pentadecan-2-yl)diazene
CID 21387369
2-methoxypropan-2-yl(octan-2-yl)diazene
CID 21387116
2-methoxy-2,3-dimethylundecane
CID 150941081
4-tert-butyl-3,3-dimethoxy-2,2-dimethyldodecane
CID 152688982
4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane
CID 150600164
2-chloropropan-2-yl(octan-2-yl)diazene
CID 21387185
2-(1,1-dimethoxyethyl)decan-1-amine
CID 151429563
9-tert-butylhenicosane
CID 150708915
6-(trimethoxymethyl)tridecane
CID 151806345
4-(trimethoxymethyl)dodecane;hydrochloride
CID 172790816
N-(2-methoxy-2-methylpropyl)nonan-2-amine
CID 104759526
butan-1-amine;4-(trimethoxymethyl)dodecane
CID 159368257

Frequently Asked Questions

What is the IUPAC name of 2-methoxypropan-2-yl(tridecan-7-yl)diazene?
The IUPAC name of 2-methoxypropan-2-yl(tridecan-7-yl)diazene (CID 21387067) is 2-methoxypropan-2-yl(tridecan-7-yl)diazene.
What is the SMILES notation for 2-methoxypropan-2-yl(tridecan-7-yl)diazene?
The canonical SMILES for 2-methoxypropan-2-yl(tridecan-7-yl)diazene is CCCCCCC(CCCCCC)/N=N/C(C)(C)OC.
What is the InChIKey of 2-methoxypropan-2-yl(tridecan-7-yl)diazene?
The InChIKey is ZNGJTYGELAEKKL-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-8-10-12-14-16(15-13-11-9-7-2)18-19-17(3,4)20-5/h16H,6-15H2,1-5H3/b19-18+.
What are the key properties of 2-methoxypropan-2-yl(tridecan-7-yl)diazene?
2-methoxypropan-2-yl(tridecan-7-yl)diazene has a molecular weight of 284.49 g/mol, XLogP of 6.13, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropan-2-yl(tridecan-7-yl)diazene is sourced from PubChem (CID 21387067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).