azane;2-methyl-N-pentylprop-2-enehydrazide

C9H21N3O — CID 87197019

IUPACazane;2-methyl-N-pentylprop-2-enehydrazide
SMILESC=C(C)C(=O)N(N)CCCCC.N
InChIInChI=1S/C9H18N2O.H3N/c1-4-5-6-7-11(10)9(12)8(2)3;/h2,4-7,10H2,1,3H3;1H3
InChIKeyPFABTQLTVWMXAB-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.62
Rot. Bonds5

About azane;2-methyl-N-pentylprop-2-enehydrazide

azane;2-methyl-N-pentylprop-2-enehydrazide (PubChem CID 87197019) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is azane;2-methyl-N-pentylprop-2-enehydrazide.

Molecular Properties

Compound Nameazane;2-methyl-N-pentylprop-2-enehydrazide
PubChem CID87197019
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Nameazane;2-methyl-N-pentylprop-2-enehydrazide
SMILESC=C(C)C(=O)N(N)CCCCC.N
InChIInChI=1S/C9H18N2O.H3N/c1-4-5-6-7-11(10)9(12)8(2)3;/h2,4-7,10H2,1,3H3;1H3
InChIKeyPFABTQLTVWMXAB-UHFFFAOYSA-N
XLogP1.62
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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'}

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Frequently Asked Questions

What is the IUPAC name of azane;2-methyl-N-pentylprop-2-enehydrazide?
The IUPAC name of azane;2-methyl-N-pentylprop-2-enehydrazide (CID 87197019) is azane;2-methyl-N-pentylprop-2-enehydrazide.
What is the SMILES notation for azane;2-methyl-N-pentylprop-2-enehydrazide?
The canonical SMILES for azane;2-methyl-N-pentylprop-2-enehydrazide is C=C(C)C(=O)N(N)CCCCC.N.
What is the InChIKey of azane;2-methyl-N-pentylprop-2-enehydrazide?
The InChIKey is PFABTQLTVWMXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.H3N/c1-4-5-6-7-11(10)9(12)8(2)3;/h2,4-7,10H2,1,3H3;1H3.
What are the key properties of azane;2-methyl-N-pentylprop-2-enehydrazide?
azane;2-methyl-N-pentylprop-2-enehydrazide has a molecular weight of 187.29 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methyl-N-pentylprop-2-enehydrazide is sourced from PubChem (CID 87197019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).