N-cyclobutylmethanimine

C5H9N — CID 123570693

IUPACN-cyclobutylmethanimine
SMILESC=NC1CCC1
InChIInChI=1S/C5H9N/c1-6-5-3-2-4-5/h5H,1-4H2
InChIKeyGHXZVAAXGMFOHA-UHFFFAOYSA-N
MW83.13 g/mol
LogP1.24
Rot. Bonds1

About N-cyclobutylmethanimine

N-cyclobutylmethanimine (PubChem CID 123570693) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is N-cyclobutylmethanimine.

Molecular Properties

Compound NameN-cyclobutylmethanimine
PubChem CID123570693
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC NameN-cyclobutylmethanimine
SMILESC=NC1CCC1
InChIInChI=1S/C5H9N/c1-6-5-3-2-4-5/h5H,1-4H2
InChIKeyGHXZVAAXGMFOHA-UHFFFAOYSA-N
XLogP1.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutylmethanimine?
The IUPAC name of N-cyclobutylmethanimine (CID 123570693) is N-cyclobutylmethanimine.
What is the SMILES notation for N-cyclobutylmethanimine?
The canonical SMILES for N-cyclobutylmethanimine is C=NC1CCC1.
What is the InChIKey of N-cyclobutylmethanimine?
The InChIKey is GHXZVAAXGMFOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-6-5-3-2-4-5/h5H,1-4H2.
What are the key properties of N-cyclobutylmethanimine?
N-cyclobutylmethanimine has a molecular weight of 83.13 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutylmethanimine is sourced from PubChem (CID 123570693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).