3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide

C11H22N4O — CID 79408692

IUPAC3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide
SMILESCCN(CC(C)C#N)C(C)C(C)C(=O)NN
InChIInChI=1S/C11H22N4O/c1-5-15(7-8(2)6-12)10(4)9(3)11(16)14-13/h8-10H,5,7,13H2,1-4H3,(H,14,16)
InChIKeyDUNWHLHGNAFHCM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.48
Rot. Bonds6

About 3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide

3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide (PubChem CID 79408692) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide
PubChem CID79408692
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide
SMILESCCN(CC(C)C#N)C(C)C(C)C(=O)NN
InChIInChI=1S/C11H22N4O/c1-5-15(7-8(2)6-12)10(4)9(3)11(16)14-13/h8-10H,5,7,13H2,1-4H3,(H,14,16)
InChIKeyDUNWHLHGNAFHCM-UHFFFAOYSA-N
XLogP0.48
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide?
The IUPAC name of 3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide (CID 79408692) is 3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide.
What is the SMILES notation for 3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide?
The canonical SMILES for 3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide is CCN(CC(C)C#N)C(C)C(C)C(=O)NN.
What is the InChIKey of 3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide?
The InChIKey is DUNWHLHGNAFHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-5-15(7-8(2)6-12)10(4)9(3)11(16)14-13/h8-10H,5,7,13H2,1-4H3,(H,14,16).
What are the key properties of 3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide?
3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide has a molecular weight of 226.32 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide is sourced from PubChem (CID 79408692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).