(1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene

C11H17N3O — CID 21387217

IUPAC(1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene
SMILESCOC(C)(/N=N/C(C)C)c1ccccn1
InChIInChI=1S/C11H17N3O/c1-9(2)13-14-11(3,15-4)10-7-5-6-8-12-10/h5-9H,1-4H3/b14-13+
InChIKeyVVSURYQUNFNREW-BUHFOSPRSA-N
MW207.28 g/mol
LogP2.76
Rot. Bonds4

About (1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene

(1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene (PubChem CID 21387217) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene.

Molecular Properties

Compound Name(1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene
PubChem CID21387217
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene
SMILESCOC(C)(/N=N/C(C)C)c1ccccn1
InChIInChI=1S/C11H17N3O/c1-9(2)13-14-11(3,15-4)10-7-5-6-8-12-10/h5-9H,1-4H3/b14-13+
InChIKeyVVSURYQUNFNREW-BUHFOSPRSA-N
XLogP2.76
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-methyl-2-pyridin-2-ylbutan-2-ol
CID 162467836
2-pyridin-2-ylbutane-2,3-diamine
CID 87362021
2-(3-methoxy-2,2-dimethylpentan-3-yl)pyridine
CID 146396875
2-tert-butylpyridine;ethane;methane
CID 143332153
trimethyl(2-pyridin-2-ylpropan-2-yloxy)silane
CID 157386063
propan-2-yl(pyridin-2-yl)diazene
CID 123501557
2-(1,1-difluoro-2-methylpropyl)pyridine
CID 116841481
2-(2-ethoxy-4-methylpentan-2-yl)pyridine
CID 146397028
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167
ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol
CID 142343342
2-[methoxy(dipyridin-2-yl)methyl]phenol
CID 14294638
CID 162723245
CID 162723245

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene?
The IUPAC name of (1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene (CID 21387217) is (1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene.
What is the SMILES notation for (1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene?
The canonical SMILES for (1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene is COC(C)(/N=N/C(C)C)c1ccccn1.
What is the InChIKey of (1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene?
The InChIKey is VVSURYQUNFNREW-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(2)13-14-11(3,15-4)10-7-5-6-8-12-10/h5-9H,1-4H3/b14-13+.
What are the key properties of (1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene?
(1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene has a molecular weight of 207.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene is sourced from PubChem (CID 21387217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).