1-(oxan-4-yl)pyrrolidin-2-imine

C9H16N2O — CID 43610291

IUPAC1-(oxan-4-yl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C1CCOCC1
InChIInChI=1S/C9H16N2O/c10-9-2-1-5-11(9)8-3-6-12-7-4-8/h8,10H,1-7H2/b10-9+
InChIKeyPAODFQAURADCMP-MDZDMXLPSA-N
MW168.24 g/mol
LogP1.24
Rot. Bonds1

About 1-(oxan-4-yl)pyrrolidin-2-imine

1-(oxan-4-yl)pyrrolidin-2-imine (PubChem CID 43610291) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(oxan-4-yl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(oxan-4-yl)pyrrolidin-2-imine
PubChem CID43610291
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(oxan-4-yl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C1CCOCC1
InChIInChI=1S/C9H16N2O/c10-9-2-1-5-11(9)8-3-6-12-7-4-8/h8,10H,1-7H2/b10-9+
InChIKeyPAODFQAURADCMP-MDZDMXLPSA-N
XLogP1.24
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(oxan-4-yl)pyrrolidin-2-imine?
The IUPAC name of 1-(oxan-4-yl)pyrrolidin-2-imine (CID 43610291) is 1-(oxan-4-yl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(oxan-4-yl)pyrrolidin-2-imine?
The canonical SMILES for 1-(oxan-4-yl)pyrrolidin-2-imine is [H]/N=C1\CCCN1C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)pyrrolidin-2-imine?
The InChIKey is PAODFQAURADCMP-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H16N2O/c10-9-2-1-5-11(9)8-3-6-12-7-4-8/h8,10H,1-7H2/b10-9+.
What are the key properties of 1-(oxan-4-yl)pyrrolidin-2-imine?
1-(oxan-4-yl)pyrrolidin-2-imine has a molecular weight of 168.24 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)pyrrolidin-2-imine is sourced from PubChem (CID 43610291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).