oxan-3-imine

C5H9NO — CID 91515813

IUPACoxan-3-imine
SMILES[H]/N=C1\CCCOC1
InChIInChI=1S/C5H9NO/c6-5-2-1-3-7-4-5/h6H,1-4H2/b6-5+
InChIKeyHKXJLFVFTZTGNJ-AATRIKPKSA-N
MW99.13 g/mol
LogP0.82
Rot. Bonds

About oxan-3-imine

oxan-3-imine (PubChem CID 91515813) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is oxan-3-imine.

Molecular Properties

Compound Nameoxan-3-imine
PubChem CID91515813
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Nameoxan-3-imine
SMILES[H]/N=C1\CCCOC1
InChIInChI=1S/C5H9NO/c6-5-2-1-3-7-4-5/h6H,1-4H2/b6-5+
InChIKeyHKXJLFVFTZTGNJ-AATRIKPKSA-N
XLogP0.82
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Iminotetrahydropyran hydrochloride
CID 359378
Oxan-2-imine
CID 359379
4-Fluorooxan-3-imine
CID 164067879
Oxan-4-ylidenehydrazine
CID 59016641
Oxan-4-imine
CID 68424935
Oxan-2-ylideneazanium
CID 91105923
Oxane-3,5-diimine
CID 123226396
N-(oxan-4-ylidene)thiohydroxylamine
CID 130179635
1-Methoxypentane-2,4-diimine
CID 138709464
Oxan-3-ylideneazanium
CID 142527776
Oxan-4-ylideneazanide
CID 143517371
5-Methyloxan-3-imine
CID 163984205

Frequently Asked Questions

What is the IUPAC name of oxan-3-imine?
The IUPAC name of oxan-3-imine (CID 91515813) is oxan-3-imine.
What is the SMILES notation for oxan-3-imine?
The canonical SMILES for oxan-3-imine is [H]/N=C1\CCCOC1.
What is the InChIKey of oxan-3-imine?
The InChIKey is HKXJLFVFTZTGNJ-AATRIKPKSA-N. The full InChI is InChI=1S/C5H9NO/c6-5-2-1-3-7-4-5/h6H,1-4H2/b6-5+.
What are the key properties of oxan-3-imine?
oxan-3-imine has a molecular weight of 99.13 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-imine is sourced from PubChem (CID 91515813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).