N'-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N'-methyl-2-(methylamino)acetohydrazide

C13H23N3O — CID 89146310

IUPACN'-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N'-methyl-2-(methylamino)acetohydrazide
SMILESC=C/C=C\C=C(/C)N(C(=O)CNC)N(C)CC
InChIInChI=1S/C13H23N3O/c1-6-8-9-10-12(3)16(15(5)7-2)13(17)11-14-4/h6,8-10,14H,1,7,11H2,2-5H3/b9-8-,12-10+
InChIKeyBBXGVNWUGICWQY-LVQHWDRTSA-N
MW237.35 g/mol
LogP1.55
Rot. Bonds7

About N'-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N'-methyl-2-(methylamino)acetohydrazide

N'-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N'-methyl-2-(methylamino)acetohydrazide (PubChem CID 89146310) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N'-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N'-methyl-2-(methylamino)acetohydrazide.

Molecular Properties

Compound NameN'-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N'-methyl-2-(methylamino)acetohydrazide
PubChem CID89146310
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN'-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N'-methyl-2-(methylamino)acetohydrazide
SMILESC=C/C=C\C=C(/C)N(C(=O)CNC)N(C)CC
InChIInChI=1S/C13H23N3O/c1-6-8-9-10-12(3)16(15(5)7-2)13(17)11-14-4/h6,8-10,14H,1,7,11H2,2-5H3/b9-8-,12-10+
InChIKeyBBXGVNWUGICWQY-LVQHWDRTSA-N
XLogP1.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N'-methyl-2-(methylamino)acetohydrazide?
The IUPAC name of N'-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N'-methyl-2-(methylamino)acetohydrazide (CID 89146310) is N'-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N'-methyl-2-(methylamino)acetohydrazide.
What is the SMILES notation for N'-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N'-methyl-2-(methylamino)acetohydrazide?
The canonical SMILES for N'-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N'-methyl-2-(methylamino)acetohydrazide is C=C/C=C\C=C(/C)N(C(=O)CNC)N(C)CC.
What is the InChIKey of N'-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N'-methyl-2-(methylamino)acetohydrazide?
The InChIKey is BBXGVNWUGICWQY-LVQHWDRTSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-8-9-10-12(3)16(15(5)7-2)13(17)11-14-4/h6,8-10,14H,1,7,11H2,2-5H3/b9-8-,12-10+.
What are the key properties of N'-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N'-methyl-2-(methylamino)acetohydrazide?
N'-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N'-methyl-2-(methylamino)acetohydrazide has a molecular weight of 237.35 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N'-methyl-2-(methylamino)acetohydrazide is sourced from PubChem (CID 89146310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).