N'-amino-2-methyl-N'-pentylprop-2-enehydrazide

C9H19N3O — CID 87377554

IUPACN'-amino-2-methyl-N'-pentylprop-2-enehydrazide
SMILESC=C(C)C(=O)NN(N)CCCCC
InChIInChI=1S/C9H19N3O/c1-4-5-6-7-12(10)11-9(13)8(2)3/h2,4-7,10H2,1,3H3,(H,11,13)
InChIKeyWITKQKWNAQZRFM-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.96
Rot. Bonds6

About N'-amino-2-methyl-N'-pentylprop-2-enehydrazide

N'-amino-2-methyl-N'-pentylprop-2-enehydrazide (PubChem CID 87377554) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N'-amino-2-methyl-N'-pentylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-amino-2-methyl-N'-pentylprop-2-enehydrazide
PubChem CID87377554
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN'-amino-2-methyl-N'-pentylprop-2-enehydrazide
SMILESC=C(C)C(=O)NN(N)CCCCC
InChIInChI=1S/C9H19N3O/c1-4-5-6-7-12(10)11-9(13)8(2)3/h2,4-7,10H2,1,3H3,(H,11,13)
InChIKeyWITKQKWNAQZRFM-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-amino-2-methyl-N'-pentylprop-2-enehydrazide 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'-amino-2-methyl-N'-pentylprop-2-enehydrazide?
The IUPAC name of N'-amino-2-methyl-N'-pentylprop-2-enehydrazide (CID 87377554) is N'-amino-2-methyl-N'-pentylprop-2-enehydrazide.
What is the SMILES notation for N'-amino-2-methyl-N'-pentylprop-2-enehydrazide?
The canonical SMILES for N'-amino-2-methyl-N'-pentylprop-2-enehydrazide is C=C(C)C(=O)NN(N)CCCCC.
What is the InChIKey of N'-amino-2-methyl-N'-pentylprop-2-enehydrazide?
The InChIKey is WITKQKWNAQZRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-4-5-6-7-12(10)11-9(13)8(2)3/h2,4-7,10H2,1,3H3,(H,11,13).
What are the key properties of N'-amino-2-methyl-N'-pentylprop-2-enehydrazide?
N'-amino-2-methyl-N'-pentylprop-2-enehydrazide has a molecular weight of 185.27 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-methyl-N'-pentylprop-2-enehydrazide is sourced from PubChem (CID 87377554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).