3-[bis(prop-2-enyl)amino]-2-methylbutanehydrazide

C11H21N3O — CID 79408576

IUPAC3-[bis(prop-2-enyl)amino]-2-methylbutanehydrazide
SMILESC=CCN(CC=C)C(C)C(C)C(=O)NN
InChIInChI=1S/C11H21N3O/c1-5-7-14(8-6-2)10(4)9(3)11(15)13-12/h5-6,9-10H,1-2,7-8,12H2,3-4H3,(H,13,15)
InChIKeyZPAPIYNMKDQFPB-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.67
Rot. Bonds7

About 3-[bis(prop-2-enyl)amino]-2-methylbutanehydrazide

3-[bis(prop-2-enyl)amino]-2-methylbutanehydrazide (PubChem CID 79408576) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)amino]-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)amino]-2-methylbutanehydrazide
PubChem CID79408576
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-[bis(prop-2-enyl)amino]-2-methylbutanehydrazide
SMILESC=CCN(CC=C)C(C)C(C)C(=O)NN
InChIInChI=1S/C11H21N3O/c1-5-7-14(8-6-2)10(4)9(3)11(15)13-12/h5-6,9-10H,1-2,7-8,12H2,3-4H3,(H,13,15)
InChIKeyZPAPIYNMKDQFPB-UHFFFAOYSA-N
XLogP0.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-[bis(prop-2-enyl)amino]-2-methylbutanehydrazide?
The IUPAC name of 3-[bis(prop-2-enyl)amino]-2-methylbutanehydrazide (CID 79408576) is 3-[bis(prop-2-enyl)amino]-2-methylbutanehydrazide.
What is the SMILES notation for 3-[bis(prop-2-enyl)amino]-2-methylbutanehydrazide?
The canonical SMILES for 3-[bis(prop-2-enyl)amino]-2-methylbutanehydrazide is C=CCN(CC=C)C(C)C(C)C(=O)NN.
What is the InChIKey of 3-[bis(prop-2-enyl)amino]-2-methylbutanehydrazide?
The InChIKey is ZPAPIYNMKDQFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-7-14(8-6-2)10(4)9(3)11(15)13-12/h5-6,9-10H,1-2,7-8,12H2,3-4H3,(H,13,15).
What are the key properties of 3-[bis(prop-2-enyl)amino]-2-methylbutanehydrazide?
3-[bis(prop-2-enyl)amino]-2-methylbutanehydrazide has a molecular weight of 211.31 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)amino]-2-methylbutanehydrazide is sourced from PubChem (CID 79408576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).