3-[(2-methylidenecyclohexyl)amino]propanehydrazide

C10H19N3O — CID 123920336

IUPAC3-[(2-methylidenecyclohexyl)amino]propanehydrazide
SMILESC=C1CCCCC1NCCC(=O)NN
InChIInChI=1S/C10H19N3O/c1-8-4-2-3-5-9(8)12-7-6-10(14)13-11/h9,12H,1-7,11H2,(H,13,14)
InChIKeyJTGPTHIPYUQNHI-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.45
Rot. Bonds4

About 3-[(2-methylidenecyclohexyl)amino]propanehydrazide

3-[(2-methylidenecyclohexyl)amino]propanehydrazide (PubChem CID 123920336) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[(2-methylidenecyclohexyl)amino]propanehydrazide.

Molecular Properties

Compound Name3-[(2-methylidenecyclohexyl)amino]propanehydrazide
PubChem CID123920336
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-[(2-methylidenecyclohexyl)amino]propanehydrazide
SMILESC=C1CCCCC1NCCC(=O)NN
InChIInChI=1S/C10H19N3O/c1-8-4-2-3-5-9(8)12-7-6-10(14)13-11/h9,12H,1-7,11H2,(H,13,14)
InChIKeyJTGPTHIPYUQNHI-UHFFFAOYSA-N
XLogP0.45
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.45
H-Bond Donors ≤ 53
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-[(2-methylidenecyclohexyl)amino]propanehydrazide?
The IUPAC name of 3-[(2-methylidenecyclohexyl)amino]propanehydrazide (CID 123920336) is 3-[(2-methylidenecyclohexyl)amino]propanehydrazide.
What is the SMILES notation for 3-[(2-methylidenecyclohexyl)amino]propanehydrazide?
The canonical SMILES for 3-[(2-methylidenecyclohexyl)amino]propanehydrazide is C=C1CCCCC1NCCC(=O)NN.
What is the InChIKey of 3-[(2-methylidenecyclohexyl)amino]propanehydrazide?
The InChIKey is JTGPTHIPYUQNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8-4-2-3-5-9(8)12-7-6-10(14)13-11/h9,12H,1-7,11H2,(H,13,14).
What are the key properties of 3-[(2-methylidenecyclohexyl)amino]propanehydrazide?
3-[(2-methylidenecyclohexyl)amino]propanehydrazide has a molecular weight of 197.28 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylidenecyclohexyl)amino]propanehydrazide is sourced from PubChem (CID 123920336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).