N'-[2-(diethylamino)ethyl]prop-2-enehydrazide

C9H19N3O — CID 150238955

IUPACN'-[2-(diethylamino)ethyl]prop-2-enehydrazide
SMILESC=CC(=O)NNCCN(CC)CC
InChIInChI=1S/C9H19N3O/c1-4-9(13)11-10-7-8-12(5-2)6-3/h4,10H,1,5-8H2,2-3H3,(H,11,13)
InChIKeyFXCNUHSLUZYHDV-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.14
Rot. Bonds7

About N'-[2-(diethylamino)ethyl]prop-2-enehydrazide

N'-[2-(diethylamino)ethyl]prop-2-enehydrazide (PubChem CID 150238955) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N'-[2-(diethylamino)ethyl]prop-2-enehydrazide.

Molecular Properties

Compound NameN'-[2-(diethylamino)ethyl]prop-2-enehydrazide
PubChem CID150238955
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN'-[2-(diethylamino)ethyl]prop-2-enehydrazide
SMILESC=CC(=O)NNCCN(CC)CC
InChIInChI=1S/C9H19N3O/c1-4-9(13)11-10-7-8-12(5-2)6-3/h4,10H,1,5-8H2,2-3H3,(H,11,13)
InChIKeyFXCNUHSLUZYHDV-UHFFFAOYSA-N
XLogP0.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 13628884
Dimethyl-(prop-2-enoylamino)-propylazanium
CID 54001668
Ethyl-dimethyl-(prop-2-enoylamino)azanium
CID 54552793
N',N'-diethylprop-2-enehydrazide
CID 58945457
N'-butyl-N-ethylprop-2-enehydrazide
CID 87503828
N,N'-dipropylprop-2-enehydrazide
CID 87503938
N-ethyl-N'-propylprop-2-enehydrazide
CID 87504090
N'-butyl-N-methylprop-2-enehydrazide
CID 87504595
N'-ethyl-N-propylprop-2-enehydrazide
CID 87504958
Dimethyl-(prop-2-enoylamino)-propylazanium chloride
CID 87842556
Diethyl-(prop-2-enoylamino)-propylazanium
CID 87994834
Diethyl-(prop-2-enoylamino)-propylazanium chloride
CID 88664389

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)ethyl]prop-2-enehydrazide?
The IUPAC name of N'-[2-(diethylamino)ethyl]prop-2-enehydrazide (CID 150238955) is N'-[2-(diethylamino)ethyl]prop-2-enehydrazide.
What is the SMILES notation for N'-[2-(diethylamino)ethyl]prop-2-enehydrazide?
The canonical SMILES for N'-[2-(diethylamino)ethyl]prop-2-enehydrazide is C=CC(=O)NNCCN(CC)CC.
What is the InChIKey of N'-[2-(diethylamino)ethyl]prop-2-enehydrazide?
The InChIKey is FXCNUHSLUZYHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-4-9(13)11-10-7-8-12(5-2)6-3/h4,10H,1,5-8H2,2-3H3,(H,11,13).
What are the key properties of N'-[2-(diethylamino)ethyl]prop-2-enehydrazide?
N'-[2-(diethylamino)ethyl]prop-2-enehydrazide has a molecular weight of 185.27 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)ethyl]prop-2-enehydrazide is sourced from PubChem (CID 150238955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).