3-amino-N-ethyl-N'-prop-2-enylpropanehydrazide

C8H17N3O — CID 87500010

IUPAC3-amino-N-ethyl-N'-prop-2-enylpropanehydrazide
SMILESC=CCNN(CC)C(=O)CCN
InChIInChI=1S/C8H17N3O/c1-3-7-10-11(4-2)8(12)5-6-9/h3,10H,1,4-7,9H2,2H3
InChIKeyHRHIVKBFQZOVCD-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.13
Rot. Bonds6

About 3-amino-N-ethyl-N'-prop-2-enylpropanehydrazide

3-amino-N-ethyl-N'-prop-2-enylpropanehydrazide (PubChem CID 87500010) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-amino-N-ethyl-N'-prop-2-enylpropanehydrazide.

Molecular Properties

Compound Name3-amino-N-ethyl-N'-prop-2-enylpropanehydrazide
PubChem CID87500010
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-amino-N-ethyl-N'-prop-2-enylpropanehydrazide
SMILESC=CCNN(CC)C(=O)CCN
InChIInChI=1S/C8H17N3O/c1-3-7-10-11(4-2)8(12)5-6-9/h3,10H,1,4-7,9H2,2H3
InChIKeyHRHIVKBFQZOVCD-UHFFFAOYSA-N
XLogP-0.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
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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Related Compounds

N',N'-bis(prop-2-enyl)propanehydrazide
CID 20437800
2-(aminomethyl)-N-[3-[(prop-2-enoylamino)-propylamino]propyl]prop-2-enamide
CID 53999140
Methyl-(propanoylamino)-bis(prop-2-enyl)azanium
CID 57048838
2-Prop-2-enylpyrazolidin-3-one
CID 70507398
3-amino-N-ethyl-N-prop-2-enylpropanamide
CID 81424347
2-methyl-N,N'-bis(prop-2-enyl)prop-2-enehydrazide
CID 87197114
3-amino-N-prop-2-enyl-N-propylpropanamide
CID 87492344
3-amino-N',N'-diethyl-N-prop-2-enylpropanehydrazide
CID 87499835
3-amino-N,N'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide
CID 87499848
3-amino-N,N'-diethyl-N'-prop-2-enylpropanehydrazide
CID 87499869
N,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide
CID 87499896
N-propan-2-yl-N',N'-bis(prop-2-enyl)-3-(propylamino)propanehydrazide
CID 87499923

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N'-prop-2-enylpropanehydrazide?
The IUPAC name of 3-amino-N-ethyl-N'-prop-2-enylpropanehydrazide (CID 87500010) is 3-amino-N-ethyl-N'-prop-2-enylpropanehydrazide.
What is the SMILES notation for 3-amino-N-ethyl-N'-prop-2-enylpropanehydrazide?
The canonical SMILES for 3-amino-N-ethyl-N'-prop-2-enylpropanehydrazide is C=CCNN(CC)C(=O)CCN.
What is the InChIKey of 3-amino-N-ethyl-N'-prop-2-enylpropanehydrazide?
The InChIKey is HRHIVKBFQZOVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-7-10-11(4-2)8(12)5-6-9/h3,10H,1,4-7,9H2,2H3.
What are the key properties of 3-amino-N-ethyl-N'-prop-2-enylpropanehydrazide?
3-amino-N-ethyl-N'-prop-2-enylpropanehydrazide has a molecular weight of 171.24 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N'-prop-2-enylpropanehydrazide is sourced from PubChem (CID 87500010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).