3-amino-N,N'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide

C12H25N3O — CID 87499848

IUPAC3-amino-N,N'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide
SMILESC=CCN(C(C)C)N(C(=O)CCN)C(C)C
InChIInChI=1S/C12H25N3O/c1-6-9-14(10(2)3)15(11(4)5)12(16)7-8-13/h6,10-11H,1,7-9,13H2,2-5H3
InChIKeyJAEMRCBCNQWSFV-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.38
Rot. Bonds7

About 3-amino-N,N'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide

3-amino-N,N'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide (PubChem CID 87499848) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-amino-N,N'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide.

Molecular Properties

Compound Name3-amino-N,N'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide
PubChem CID87499848
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-amino-N,N'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide
SMILESC=CCN(C(C)C)N(C(=O)CCN)C(C)C
InChIInChI=1S/C12H25N3O/c1-6-9-14(10(2)3)15(11(4)5)12(16)7-8-13/h6,10-11H,1,7-9,13H2,2-5H3
InChIKeyJAEMRCBCNQWSFV-UHFFFAOYSA-N
XLogP1.38
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.38
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'}

Analyze 3-amino-N,N'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide 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 3-amino-N,N'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide?
The IUPAC name of 3-amino-N,N'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide (CID 87499848) is 3-amino-N,N'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide.
What is the SMILES notation for 3-amino-N,N'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide?
The canonical SMILES for 3-amino-N,N'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide is C=CCN(C(C)C)N(C(=O)CCN)C(C)C.
What is the InChIKey of 3-amino-N,N'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide?
The InChIKey is JAEMRCBCNQWSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-6-9-14(10(2)3)15(11(4)5)12(16)7-8-13/h6,10-11H,1,7-9,13H2,2-5H3.
What are the key properties of 3-amino-N,N'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide?
3-amino-N,N'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide has a molecular weight of 227.35 g/mol, XLogP of 1.38, 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'-di(propan-2-yl)-N'-prop-2-enylpropanehydrazide is sourced from PubChem (CID 87499848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).