N,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide

C12H25N3O — CID 87499896

IUPACN,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide
SMILESC=CCNCCC(=O)N(CC)N(CC)CC
InChIInChI=1S/C12H25N3O/c1-5-10-13-11-9-12(16)15(8-4)14(6-2)7-3/h5,13H,1,6-11H2,2-4H3
InChIKeyVRBWWUWNXPHRGO-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.26
Rot. Bonds9

About N,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide

N,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide (PubChem CID 87499896) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide.

Molecular Properties

Compound NameN,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide
PubChem CID87499896
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide
SMILESC=CCNCCC(=O)N(CC)N(CC)CC
InChIInChI=1S/C12H25N3O/c1-5-10-13-11-9-12(16)15(8-4)14(6-2)7-3/h5,13H,1,6-11H2,2-4H3
InChIKeyVRBWWUWNXPHRGO-UHFFFAOYSA-N
XLogP1.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide?
The IUPAC name of N,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide (CID 87499896) is N,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide.
What is the SMILES notation for N,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide?
The canonical SMILES for N,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide is C=CCNCCC(=O)N(CC)N(CC)CC.
What is the InChIKey of N,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide?
The InChIKey is VRBWWUWNXPHRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-10-13-11-9-12(16)15(8-4)14(6-2)7-3/h5,13H,1,6-11H2,2-4H3.
What are the key properties of N,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide?
N,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide has a molecular weight of 227.35 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-triethyl-3-(prop-2-enylamino)propanehydrazide is sourced from PubChem (CID 87499896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).