4-(4-methylazepan-1-yl)butanehydrazide

C11H23N3O — CID 63627733

IUPAC4-(4-methylazepan-1-yl)butanehydrazide
SMILESCC1CCCN(CCCC(=O)NN)CC1
InChIInChI=1S/C11H23N3O/c1-10-4-2-7-14(9-6-10)8-3-5-11(15)13-12/h10H,2-9,12H2,1H3,(H,13,15)
InChIKeyJWJPATUVXMLLLJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.88
Rot. Bonds4

About 4-(4-methylazepan-1-yl)butanehydrazide

4-(4-methylazepan-1-yl)butanehydrazide (PubChem CID 63627733) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(4-methylazepan-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(4-methylazepan-1-yl)butanehydrazide
PubChem CID63627733
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-(4-methylazepan-1-yl)butanehydrazide
SMILESCC1CCCN(CCCC(=O)NN)CC1
InChIInChI=1S/C11H23N3O/c1-10-4-2-7-14(9-6-10)8-3-5-11(15)13-12/h10H,2-9,12H2,1H3,(H,13,15)
InChIKeyJWJPATUVXMLLLJ-UHFFFAOYSA-N
XLogP0.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide
CID 63584815
4-(3-hydroxypiperidin-1-yl)butanehydrazide
CID 63585558
1-(4-hydrazinyl-4-oxobutyl)-N-methylpiperidine-4-carboxamide
CID 63584988
5-(4-hydroxypiperidin-1-yl)pentanehydrazide
CID 63571141
4-(3-methoxypiperidin-1-yl)butanehydrazide
CID 102968724
4-(4-methylazepan-1-yl)butan-1-ol
CID 63214962
5-[4-(dimethylamino)piperidin-1-yl]pentanehydrazide
CID 55213443
5-(4-ethylpiperidin-1-yl)pentanehydrazide
CID 63578403
4-[3-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 106589698
4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide
CID 63583172
2-(3-methylpiperidin-1-yl)acetohydrazide
CID 43906557
5-(4-propylpiperazin-1-yl)pentanehydrazide
CID 63568646

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylazepan-1-yl)butanehydrazide?
The IUPAC name of 4-(4-methylazepan-1-yl)butanehydrazide (CID 63627733) is 4-(4-methylazepan-1-yl)butanehydrazide.
What is the SMILES notation for 4-(4-methylazepan-1-yl)butanehydrazide?
The canonical SMILES for 4-(4-methylazepan-1-yl)butanehydrazide is CC1CCCN(CCCC(=O)NN)CC1.
What is the InChIKey of 4-(4-methylazepan-1-yl)butanehydrazide?
The InChIKey is JWJPATUVXMLLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10-4-2-7-14(9-6-10)8-3-5-11(15)13-12/h10H,2-9,12H2,1H3,(H,13,15).
What are the key properties of 4-(4-methylazepan-1-yl)butanehydrazide?
4-(4-methylazepan-1-yl)butanehydrazide has a molecular weight of 213.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylazepan-1-yl)butanehydrazide is sourced from PubChem (CID 63627733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).