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

C11H23N3O2 — CID 63583173

IUPAC3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide
SMILESCC1CN(C(C(=O)NN)C(C)C)CCCO1
InChIInChI=1S/C11H23N3O2/c1-8(2)10(11(15)13-12)14-5-4-6-16-9(3)7-14/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyPPGQZHDSWREGGE-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.11
Rot. Bonds3

About 3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide

3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide (PubChem CID 63583173) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide.

Molecular Properties

Compound Name3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide
PubChem CID63583173
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide
SMILESCC1CN(C(C(=O)NN)C(C)C)CCCO1
InChIInChI=1S/C11H23N3O2/c1-8(2)10(11(15)13-12)14-5-4-6-16-9(3)7-14/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyPPGQZHDSWREGGE-UHFFFAOYSA-N
XLogP0.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.11
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

3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide
CID 103229582
methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate
CID 62972695
3-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide
CID 63572855
(2R)-3-methyl-2-morpholin-4-ylbutanehydrazide
CID 30403760
3-methyl-2-(4-methylpiperidin-1-yl)butanehydrazide
CID 43906589
3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide
CID 63573609
2-methyl-1,4-oxazepane-4-carbohydrazide
CID 62968526
2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one
CID 64866930
N-(4-amino-2-methylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)propanamide
CID 62989125
2-(4-methoxypiperidin-1-yl)-3-methylbutanehydrazide
CID 63574228
3-(2-methyl-1,4-oxazepan-4-yl)-N-propan-2-ylbutan-1-amine
CID 62974621
N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
CID 81019358

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide?
The IUPAC name of 3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide (CID 63583173) is 3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide.
What is the SMILES notation for 3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide?
The canonical SMILES for 3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide is CC1CN(C(C(=O)NN)C(C)C)CCCO1.
What is the InChIKey of 3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide?
The InChIKey is PPGQZHDSWREGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8(2)10(11(15)13-12)14-5-4-6-16-9(3)7-14/h8-10H,4-7,12H2,1-3H3,(H,13,15).
What are the key properties of 3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide?
3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide has a molecular weight of 229.32 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide is sourced from PubChem (CID 63583173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).