2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;2-methylbuta-1,3-diene

C13H26N4O2 — CID 144957850

IUPAC2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;2-methylbuta-1,3-diene
SMILESC=CC(=C)C.CC(C)CC(C/C(N)=N/NN)C(=O)O
InChIInChI=1S/C8H18N4O2.C5H8/c1-5(2)3-6(8(13)14)4-7(9)11-12-10;1-4-5(2)3/h5-6,12H,3-4,10H2,1-2H3,(H2,9,11)(H,13,14);4H,1-2H2,3H3
InChIKeyPZXPQBFMDSGWBJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.61
Rot. Bonds7

About 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;2-methylbuta-1,3-diene

2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;2-methylbuta-1,3-diene (PubChem CID 144957850) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;2-methylbuta-1,3-diene.

Molecular Properties

Compound Name2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;2-methylbuta-1,3-diene
PubChem CID144957850
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;2-methylbuta-1,3-diene
SMILESC=CC(=C)C.CC(C)CC(C/C(N)=N/NN)C(=O)O
InChIInChI=1S/C8H18N4O2.C5H8/c1-5(2)3-6(8(13)14)4-7(9)11-12-10;1-4-5(2)3/h5-6,12H,3-4,10H2,1-2H3,(H2,9,11)(H,13,14);4H,1-2H2,3H3
InChIKeyPZXPQBFMDSGWBJ-UHFFFAOYSA-N
XLogP1.61
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-methylpropyl)-4-oxopentanoic acid
CID 59074115
2-[2-amino-2-(iminohydrazinylidene)ethyl]-4-methylpentanoic acid
CID 144957515
2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;ethane;4-(2-fluoro-4-methylphenyl)-N-methylcyclohex-3-en-1-amine
CID 144957840
alumane;4-methyl-2-(2-methylpropyl)pentanoic acid
CID 173457515
2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid
CID 14303036
acetic acid;2-methylbuta-1,3-diene
CID 162329319
(2R)-2-(fluoromethyl)-4-methylpentanoic acid
CID 129304901
(4E)-4-[(methylideneamino)methylidene]-3-(2-methylpropyl)hex-5-enoic acid
CID 165405457
3-methylbutanoic acid;prop-2-enamide
CID 146306740
2-methylbuta-1,3-diene;pentane-2,4-dione
CID 18795140
2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]pentanoic acid;N-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]acetamide
CID 144957701
2-[(hex-5-en-2-ylamino)methyl]-4-methylpentanoic acid
CID 122127883

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;2-methylbuta-1,3-diene?
The IUPAC name of 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;2-methylbuta-1,3-diene (CID 144957850) is 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;2-methylbuta-1,3-diene.
What is the SMILES notation for 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;2-methylbuta-1,3-diene?
The canonical SMILES for 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;2-methylbuta-1,3-diene is C=CC(=C)C.CC(C)CC(C/C(N)=N/NN)C(=O)O.
What is the InChIKey of 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;2-methylbuta-1,3-diene?
The InChIKey is PZXPQBFMDSGWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2.C5H8/c1-5(2)3-6(8(13)14)4-7(9)11-12-10;1-4-5(2)3/h5-6,12H,3-4,10H2,1-2H3,(H2,9,11)(H,13,14);4H,1-2H2,3H3.
What are the key properties of 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;2-methylbuta-1,3-diene?
2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;2-methylbuta-1,3-diene has a molecular weight of 270.38 g/mol, XLogP of 1.61, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-methylpentanoic acid;2-methylbuta-1,3-diene is sourced from PubChem (CID 144957850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).