3-amino-N',N'-diethyl-N-prop-2-enylpropanehydrazide

C10H21N3O — CID 87499835

IUPAC3-amino-N',N'-diethyl-N-prop-2-enylpropanehydrazide
SMILESC=CCN(C(=O)CCN)N(CC)CC
InChIInChI=1S/C10H21N3O/c1-4-9-13(10(14)7-8-11)12(5-2)6-3/h4H,1,5-9,11H2,2-3H3
InChIKeyWGJUCSBXPISJJL-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.61
Rot. Bonds7

About 3-amino-N',N'-diethyl-N-prop-2-enylpropanehydrazide

3-amino-N',N'-diethyl-N-prop-2-enylpropanehydrazide (PubChem CID 87499835) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-amino-N',N'-diethyl-N-prop-2-enylpropanehydrazide.

Molecular Properties

Compound Name3-amino-N',N'-diethyl-N-prop-2-enylpropanehydrazide
PubChem CID87499835
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-amino-N',N'-diethyl-N-prop-2-enylpropanehydrazide
SMILESC=CCN(C(=O)CCN)N(CC)CC
InChIInChI=1S/C10H21N3O/c1-4-9-13(10(14)7-8-11)12(5-2)6-3/h4H,1,5-9,11H2,2-3H3
InChIKeyWGJUCSBXPISJJL-UHFFFAOYSA-N
XLogP0.61
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 3-amino-N',N'-diethyl-N-prop-2-enylpropanehydrazide?
The IUPAC name of 3-amino-N',N'-diethyl-N-prop-2-enylpropanehydrazide (CID 87499835) is 3-amino-N',N'-diethyl-N-prop-2-enylpropanehydrazide.
What is the SMILES notation for 3-amino-N',N'-diethyl-N-prop-2-enylpropanehydrazide?
The canonical SMILES for 3-amino-N',N'-diethyl-N-prop-2-enylpropanehydrazide is C=CCN(C(=O)CCN)N(CC)CC.
What is the InChIKey of 3-amino-N',N'-diethyl-N-prop-2-enylpropanehydrazide?
The InChIKey is WGJUCSBXPISJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-9-13(10(14)7-8-11)12(5-2)6-3/h4H,1,5-9,11H2,2-3H3.
What are the key properties of 3-amino-N',N'-diethyl-N-prop-2-enylpropanehydrazide?
3-amino-N',N'-diethyl-N-prop-2-enylpropanehydrazide has a molecular weight of 199.30 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N',N'-diethyl-N-prop-2-enylpropanehydrazide is sourced from PubChem (CID 87499835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).