2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine

C19H33N5O2 — CID 144957423

IUPAC2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine
SMILESCC(C)CC(C/C(N)=N/N)C(=O)O.Cc1ccc(C2CCNCC2)nc1
InChIInChI=1S/C11H16N2.C8H17N3O2/c1-9-2-3-11(13-8-9)10-4-6-12-7-5-10;1-5(2)3-6(8(12)13)4-7(9)11-10/h2-3,8,10,12H,4-7H2,1H3;5-6H,3-4,10H2,1-2H3,(H2,9,11)(H,12,13)
InChIKeyOFDZHDZPXMXAFO-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.21
Rot. Bonds6

About 2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine

2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine (PubChem CID 144957423) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine
PubChem CID144957423
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine
SMILESCC(C)CC(C/C(N)=N/N)C(=O)O.Cc1ccc(C2CCNCC2)nc1
InChIInChI=1S/C11H16N2.C8H17N3O2/c1-9-2-3-11(13-8-9)10-4-6-12-7-5-10;1-5(2)3-6(8(12)13)4-7(9)11-10/h2-3,8,10,12H,4-7H2,1H3;5-6H,3-4,10H2,1-2H3,(H2,9,11)(H,12,13)
InChIKeyOFDZHDZPXMXAFO-UHFFFAOYSA-N
XLogP2.21
TPSA126.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine?
The IUPAC name of 2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine (CID 144957423) is 2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine.
What is the SMILES notation for 2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine?
The canonical SMILES for 2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine is CC(C)CC(C/C(N)=N/N)C(=O)O.Cc1ccc(C2CCNCC2)nc1.
What is the InChIKey of 2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine?
The InChIKey is OFDZHDZPXMXAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C8H17N3O2/c1-9-2-3-11(13-8-9)10-4-6-12-7-5-10;1-5(2)3-6(8(12)13)4-7(9)11-10/h2-3,8,10,12H,4-7H2,1H3;5-6H,3-4,10H2,1-2H3,(H2,9,11)(H,12,13).
What are the key properties of 2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine?
2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine has a molecular weight of 363.51 g/mol, XLogP of 2.21, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine is sourced from PubChem (CID 144957423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).