2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide

C12H19N3O2 — CID 79628320

IUPAC2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide
SMILESCC(C)(COCCc1ccccn1)C(=O)NN
InChIInChI=1S/C12H19N3O2/c1-12(2,11(16)15-13)9-17-8-6-10-5-3-4-7-14-10/h3-5,7H,6,8-9,13H2,1-2H3,(H,15,16)
InChIKeyDCLCBRUGVDSWGY-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.66
Rot. Bonds6

About 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide

2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide (PubChem CID 79628320) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide
PubChem CID79628320
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide
SMILESCC(C)(COCCc1ccccn1)C(=O)NN
InChIInChI=1S/C12H19N3O2/c1-12(2,11(16)15-13)9-17-8-6-10-5-3-4-7-14-10/h3-5,7H,6,8-9,13H2,1-2H3,(H,15,16)
InChIKeyDCLCBRUGVDSWGY-UHFFFAOYSA-N
XLogP0.66
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanoate
CID 79622873
2-[2-(2-pyridin-2-ylethoxymethyl)phenyl]acetohydrazide
CID 115465175
2-methyl-N-[2-(2-pyridin-2-ylethoxy)ethyl]propan-2-amine
CID 62456481
6-(2-pyridin-2-ylethoxymethyl)pyridine-2-carbohydrazide
CID 106908801
2,2-dimethyl-N-propan-2-yl-3-(2-pyridin-2-ylethoxy)propan-1-amine
CID 79626684
2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 66336556
7-(2-pyridin-2-ylethoxy)heptan-2-one
CID 23045048
1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea
CID 91316949
methyl 2-methyl-4-(2-pyridin-2-ylethoxy)but-2-enoate
CID 77076347
3-(2-pyridin-2-ylethoxy)propanal
CID 63039480
2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate
CID 164863445
4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline
CID 43366212

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide (CID 79628320) is 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide is CC(C)(COCCc1ccccn1)C(=O)NN.
What is the InChIKey of 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide?
The InChIKey is DCLCBRUGVDSWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,11(16)15-13)9-17-8-6-10-5-3-4-7-14-10/h3-5,7H,6,8-9,13H2,1-2H3,(H,15,16).
What are the key properties of 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide?
2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide has a molecular weight of 237.30 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide is sourced from PubChem (CID 79628320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).