3-[cycloheptyl(methyl)amino]propanehydrazide

C11H23N3O — CID 63574081

IUPAC3-[cycloheptyl(methyl)amino]propanehydrazide
SMILESCN(CCC(=O)NN)C1CCCCCC1
InChIInChI=1S/C11H23N3O/c1-14(9-8-11(15)13-12)10-6-4-2-3-5-7-10/h10H,2-9,12H2,1H3,(H,13,15)
InChIKeyHQHUSDJRLCTCFK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.02
Rot. Bonds4

About 3-[cycloheptyl(methyl)amino]propanehydrazide

3-[cycloheptyl(methyl)amino]propanehydrazide (PubChem CID 63574081) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[cycloheptyl(methyl)amino]propanehydrazide.

Molecular Properties

Compound Name3-[cycloheptyl(methyl)amino]propanehydrazide
PubChem CID63574081
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[cycloheptyl(methyl)amino]propanehydrazide
SMILESCN(CCC(=O)NN)C1CCCCCC1
InChIInChI=1S/C11H23N3O/c1-14(9-8-11(15)13-12)10-6-4-2-3-5-7-10/h10H,2-9,12H2,1H3,(H,13,15)
InChIKeyHQHUSDJRLCTCFK-UHFFFAOYSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.02
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[cycloheptyl(methyl)amino]propanehydrazide?
The IUPAC name of 3-[cycloheptyl(methyl)amino]propanehydrazide (CID 63574081) is 3-[cycloheptyl(methyl)amino]propanehydrazide.
What is the SMILES notation for 3-[cycloheptyl(methyl)amino]propanehydrazide?
The canonical SMILES for 3-[cycloheptyl(methyl)amino]propanehydrazide is CN(CCC(=O)NN)C1CCCCCC1.
What is the InChIKey of 3-[cycloheptyl(methyl)amino]propanehydrazide?
The InChIKey is HQHUSDJRLCTCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-14(9-8-11(15)13-12)10-6-4-2-3-5-7-10/h10H,2-9,12H2,1H3,(H,13,15).
What are the key properties of 3-[cycloheptyl(methyl)amino]propanehydrazide?
3-[cycloheptyl(methyl)amino]propanehydrazide has a molecular weight of 213.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cycloheptyl(methyl)amino]propanehydrazide is sourced from PubChem (CID 63574081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).