2-(azocan-1-yl)pentanehydrazide

C12H25N3O — CID 83047792

IUPAC2-(azocan-1-yl)pentanehydrazide
SMILESCCCC(C(=O)NN)N1CCCCCCC1
InChIInChI=1S/C12H25N3O/c1-2-8-11(12(16)14-13)15-9-6-4-3-5-7-10-15/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeySWDJHIONIATBMV-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.41
Rot. Bonds4

About 2-(azocan-1-yl)pentanehydrazide

2-(azocan-1-yl)pentanehydrazide (PubChem CID 83047792) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(azocan-1-yl)pentanehydrazide.

Molecular Properties

Compound Name2-(azocan-1-yl)pentanehydrazide
PubChem CID83047792
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(azocan-1-yl)pentanehydrazide
SMILESCCCC(C(=O)NN)N1CCCCCCC1
InChIInChI=1S/C12H25N3O/c1-2-8-11(12(16)14-13)15-9-6-4-3-5-7-10-15/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeySWDJHIONIATBMV-UHFFFAOYSA-N
XLogP1.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.41
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

2-(4-acetylpiperazin-1-yl)pentanehydrazide
CID 83047028
2-(1,4-thiazepan-4-yl)pentanehydrazide
CID 83047299
2-(azepan-1-yl)pentanoic acid
CID 43866463
2-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanehydrazide
CID 112629345
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanehydrazide
CID 83047814
2-[4-(2-hydroxyethoxy)piperidin-1-yl]pentanehydrazide
CID 83047550
2-(4-benzylpiperidin-1-yl)pentanehydrazide
CID 83052069
2-(4-benzylpiperazin-1-yl)pentanehydrazide
CID 83052064
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide
CID 83047306
2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide
CID 63571373
2-(4-acetylpiperazin-1-yl)butanehydrazide
CID 63568814
methyl 2-(1,4-diazepan-1-yl)pentanoate
CID 60993244

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)pentanehydrazide?
The IUPAC name of 2-(azocan-1-yl)pentanehydrazide (CID 83047792) is 2-(azocan-1-yl)pentanehydrazide.
What is the SMILES notation for 2-(azocan-1-yl)pentanehydrazide?
The canonical SMILES for 2-(azocan-1-yl)pentanehydrazide is CCCC(C(=O)NN)N1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)pentanehydrazide?
The InChIKey is SWDJHIONIATBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-2-8-11(12(16)14-13)15-9-6-4-3-5-7-10-15/h11H,2-10,13H2,1H3,(H,14,16).
What are the key properties of 2-(azocan-1-yl)pentanehydrazide?
2-(azocan-1-yl)pentanehydrazide has a molecular weight of 227.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)pentanehydrazide is sourced from PubChem (CID 83047792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).