(E)-N'-[3-(diazinan-1-yl)-3-oxopropyl]-2-propylpent-2-enehydrazide

C15H28N4O2 — CID 70993483

IUPAC(E)-N'-[3-(diazinan-1-yl)-3-oxopropyl]-2-propylpent-2-enehydrazide
SMILESCC/C=C(\CCC)C(=O)NNCCC(=O)N1CCCCN1
InChIInChI=1S/C15H28N4O2/c1-3-7-13(8-4-2)15(21)18-16-11-9-14(20)19-12-6-5-10-17-19/h7,16-17H,3-6,8-12H2,1-2H3,(H,18,21)/b13-7+
InChIKeyJRRKYAOGEXYXAR-NTUHNPAUSA-N
MW296.42 g/mol
LogP1.26
Rot. Bonds8

About (E)-N'-[3-(diazinan-1-yl)-3-oxopropyl]-2-propylpent-2-enehydrazide

(E)-N'-[3-(diazinan-1-yl)-3-oxopropyl]-2-propylpent-2-enehydrazide (PubChem CID 70993483) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is (E)-N'-[3-(diazinan-1-yl)-3-oxopropyl]-2-propylpent-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[3-(diazinan-1-yl)-3-oxopropyl]-2-propylpent-2-enehydrazide
PubChem CID70993483
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name(E)-N'-[3-(diazinan-1-yl)-3-oxopropyl]-2-propylpent-2-enehydrazide
SMILESCC/C=C(\CCC)C(=O)NNCCC(=O)N1CCCCN1
InChIInChI=1S/C15H28N4O2/c1-3-7-13(8-4-2)15(21)18-16-11-9-14(20)19-12-6-5-10-17-19/h7,16-17H,3-6,8-12H2,1-2H3,(H,18,21)/b13-7+
InChIKeyJRRKYAOGEXYXAR-NTUHNPAUSA-N
XLogP1.26
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 (E)-N'-[3-(diazinan-1-yl)-3-oxopropyl]-2-propylpent-2-enehydrazide?
The IUPAC name of (E)-N'-[3-(diazinan-1-yl)-3-oxopropyl]-2-propylpent-2-enehydrazide (CID 70993483) is (E)-N'-[3-(diazinan-1-yl)-3-oxopropyl]-2-propylpent-2-enehydrazide.
What is the SMILES notation for (E)-N'-[3-(diazinan-1-yl)-3-oxopropyl]-2-propylpent-2-enehydrazide?
The canonical SMILES for (E)-N'-[3-(diazinan-1-yl)-3-oxopropyl]-2-propylpent-2-enehydrazide is CC/C=C(\CCC)C(=O)NNCCC(=O)N1CCCCN1.
What is the InChIKey of (E)-N'-[3-(diazinan-1-yl)-3-oxopropyl]-2-propylpent-2-enehydrazide?
The InChIKey is JRRKYAOGEXYXAR-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-3-7-13(8-4-2)15(21)18-16-11-9-14(20)19-12-6-5-10-17-19/h7,16-17H,3-6,8-12H2,1-2H3,(H,18,21)/b13-7+.
What are the key properties of (E)-N'-[3-(diazinan-1-yl)-3-oxopropyl]-2-propylpent-2-enehydrazide?
(E)-N'-[3-(diazinan-1-yl)-3-oxopropyl]-2-propylpent-2-enehydrazide has a molecular weight of 296.42 g/mol, XLogP of 1.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[3-(diazinan-1-yl)-3-oxopropyl]-2-propylpent-2-enehydrazide is sourced from PubChem (CID 70993483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).