cyclobutyl(hydrazinyl)methanamine

C5H13N3 — CID 116947544

IUPACcyclobutyl(hydrazinyl)methanamine
SMILESNNC(N)C1CCC1
InChIInChI=1S/C5H13N3/c6-5(8-7)4-2-1-3-4/h4-5,8H,1-3,6-7H2
InChIKeyIJCFMIYAGVMBMY-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.47
Rot. Bonds2

About cyclobutyl(hydrazinyl)methanamine

cyclobutyl(hydrazinyl)methanamine (PubChem CID 116947544) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is cyclobutyl(hydrazinyl)methanamine.

Molecular Properties

Compound Namecyclobutyl(hydrazinyl)methanamine
PubChem CID116947544
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Namecyclobutyl(hydrazinyl)methanamine
SMILESNNC(N)C1CCC1
InChIInChI=1S/C5H13N3/c6-5(8-7)4-2-1-3-4/h4-5,8H,1-3,6-7H2
InChIKeyIJCFMIYAGVMBMY-UHFFFAOYSA-N
XLogP-0.47
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 cyclobutyl(hydrazinyl)methanamine?
The IUPAC name of cyclobutyl(hydrazinyl)methanamine (CID 116947544) is cyclobutyl(hydrazinyl)methanamine.
What is the SMILES notation for cyclobutyl(hydrazinyl)methanamine?
The canonical SMILES for cyclobutyl(hydrazinyl)methanamine is NNC(N)C1CCC1.
What is the InChIKey of cyclobutyl(hydrazinyl)methanamine?
The InChIKey is IJCFMIYAGVMBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c6-5(8-7)4-2-1-3-4/h4-5,8H,1-3,6-7H2.
What are the key properties of cyclobutyl(hydrazinyl)methanamine?
cyclobutyl(hydrazinyl)methanamine has a molecular weight of 115.18 g/mol, XLogP of -0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(hydrazinyl)methanamine is sourced from PubChem (CID 116947544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).