4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide

C10H21N3O2 — CID 63583172

IUPAC4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide
SMILESCC1CN(CCCC(=O)NN)CCCO1
InChIInChI=1S/C10H21N3O2/c1-9-8-13(6-3-7-15-9)5-2-4-10(14)12-11/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyPIWHZTPAZZWDKL-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.13
Rot. Bonds4

About 4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide

4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide (PubChem CID 63583172) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide.

Molecular Properties

Compound Name4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide
PubChem CID63583172
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide
SMILESCC1CN(CCCC(=O)NN)CCCO1
InChIInChI=1S/C10H21N3O2/c1-9-8-13(6-3-7-15-9)5-2-4-10(14)12-11/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyPIWHZTPAZZWDKL-UHFFFAOYSA-N
XLogP-0.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-4-(2-methyl-1,4-oxazepan-4-yl)butanamide
CID 62988421
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
N'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 76979643
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-one
CID 55153161
4-(9-bromononyl)-2-methyl-1,4-oxazepane
CID 105343753
4-(3-hydroxypiperidin-1-yl)butanehydrazide
CID 63585558
6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine
CID 62986916
4-(4-methylazepan-1-yl)butanehydrazide
CID 63627733
4-(3-methoxypiperidin-1-yl)butanehydrazide
CID 102968724
methyl 2-amino-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 55152396
2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide
CID 62974573
4-(2-cyanomorpholin-4-yl)butanehydrazide
CID 79680995

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide?
The IUPAC name of 4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide (CID 63583172) is 4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide.
What is the SMILES notation for 4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide?
The canonical SMILES for 4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide is CC1CN(CCCC(=O)NN)CCCO1.
What is the InChIKey of 4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide?
The InChIKey is PIWHZTPAZZWDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-9-8-13(6-3-7-15-9)5-2-4-10(14)12-11/h9H,2-8,11H2,1H3,(H,12,14).
What are the key properties of 4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide?
4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide has a molecular weight of 215.30 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide is sourced from PubChem (CID 63583172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).