pentan-3-imine

C5H11N — CID 12811805

IUPACpentan-3-imine
SMILES[H]N=C(CC)CC
InChIInChI=1S/C5H11N/c1-3-5(6)4-2/h6H,3-4H2,1-2H3
InChIKeyJYIZFMZSZRMGAT-UHFFFAOYSA-N
MW85.15 g/mol
LogP1.83
Rot. Bonds2

About pentan-3-imine

pentan-3-imine (PubChem CID 12811805) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is pentan-3-imine.

Molecular Properties

Compound Namepentan-3-imine
PubChem CID12811805
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC Namepentan-3-imine
SMILES[H]N=C(CC)CC
InChIInChI=1S/C5H11N/c1-3-5(6)4-2/h6H,3-4H2,1-2H3
InChIKeyJYIZFMZSZRMGAT-UHFFFAOYSA-N
XLogP1.83
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 51.83
H-Bond Donors ≤ 51
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 pentan-3-imine?
The IUPAC name of pentan-3-imine (CID 12811805) is pentan-3-imine.
What is the SMILES notation for pentan-3-imine?
The canonical SMILES for pentan-3-imine is [H]N=C(CC)CC.
What is the InChIKey of pentan-3-imine?
The InChIKey is JYIZFMZSZRMGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N/c1-3-5(6)4-2/h6H,3-4H2,1-2H3.
What are the key properties of pentan-3-imine?
pentan-3-imine has a molecular weight of 85.15 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-imine is sourced from PubChem (CID 12811805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).