acetic acid;(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)hydrazine

C8H17N3O2 — CID 18428569

IUPACacetic acid;(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)hydrazine
SMILESCC(=O)O.CC1CCN=C(NN)C1
InChIInChI=1S/C6H13N3.C2H4O2/c1-5-2-3-8-6(4-5)9-7;1-2(3)4/h5H,2-4,7H2,1H3,(H,8,9);1H3,(H,3,4)
InChIKeyPJDUOKSAYQHNLN-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.37
Rot. Bonds

About acetic acid;(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)hydrazine

acetic acid;(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)hydrazine (PubChem CID 18428569) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is acetic acid;(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)hydrazine.

Molecular Properties

Compound Nameacetic acid;(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)hydrazine
PubChem CID18428569
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Nameacetic acid;(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)hydrazine
SMILESCC(=O)O.CC1CCN=C(NN)C1
InChIInChI=1S/C6H13N3.C2H4O2/c1-5-2-3-8-6(4-5)9-7;1-2(3)4/h5H,2-4,7H2,1H3,(H,8,9);1H3,(H,3,4)
InChIKeyPJDUOKSAYQHNLN-UHFFFAOYSA-N
XLogP0.37
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)hydrazine?
The IUPAC name of acetic acid;(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)hydrazine (CID 18428569) is acetic acid;(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)hydrazine.
What is the SMILES notation for acetic acid;(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)hydrazine?
The canonical SMILES for acetic acid;(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)hydrazine is CC(=O)O.CC1CCN=C(NN)C1.
What is the InChIKey of acetic acid;(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)hydrazine?
The InChIKey is PJDUOKSAYQHNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3.C2H4O2/c1-5-2-3-8-6(4-5)9-7;1-2(3)4/h5H,2-4,7H2,1H3,(H,8,9);1H3,(H,3,4).
What are the key properties of acetic acid;(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)hydrazine?
acetic acid;(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)hydrazine has a molecular weight of 187.24 g/mol, XLogP of 0.37, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)hydrazine is sourced from PubChem (CID 18428569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).