4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol

C16H36N4O — CID 146437345

IUPAC4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(C)N(C)/N=N/N(C)C(C)(C)CC(C)(C)O
InChIInChI=1S/C16H36N4O/c1-13(2)11-14(3,4)19(9)17-18-20(10)15(5,6)12-16(7,8)21/h13,21H,11-12H2,1-10H3/b18-17+
InChIKeyBJARFCYMYMQVNU-ISLYRVAYSA-N
MW300.49 g/mol
LogP3.90
Rot. Bonds8

About 4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol

4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol (PubChem CID 146437345) has the molecular formula C16H36N4O and a molecular weight of 300.49 g/mol. Its IUPAC name is 4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol
PubChem CID146437345
Molecular FormulaC16H36N4O
Molecular Weight300.49 g/mol
Exact Mass300.29
IUPAC Name4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(C)N(C)/N=N/N(C)C(C)(C)CC(C)(C)O
InChIInChI=1S/C16H36N4O/c1-13(2)11-14(3,4)19(9)17-18-20(10)15(5,6)12-16(7,8)21/h13,21H,11-12H2,1-10H3/b18-17+
InChIKeyBJARFCYMYMQVNU-ISLYRVAYSA-N
XLogP3.90
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol (CID 146437345) is 4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(C)N(C)/N=N/N(C)C(C)(C)CC(C)(C)O.
What is the InChIKey of 4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol?
The InChIKey is BJARFCYMYMQVNU-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H36N4O/c1-13(2)11-14(3,4)19(9)17-18-20(10)15(5,6)12-16(7,8)21/h13,21H,11-12H2,1-10H3/b18-17+.
What are the key properties of 4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol?
4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol has a molecular weight of 300.49 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 146437345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).