3-(aziridin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-imine

C10H18N2O — CID 537714

IUPAC3-(aziridin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-imine
SMILESC(\CCN1CC1)=N/CC1CCCO1
InChIInChI=1S/C10H18N2O/c1-3-10(13-8-1)9-11-4-2-5-12-6-7-12/h4,10H,1-3,5-9H2/b11-4+
InChIKeyZFEDIYOCTIJEKX-NYYWCZLTSA-N
MW182.27 g/mol
LogP0.94
Rot. Bonds5

About 3-(aziridin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-imine

3-(aziridin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-imine (PubChem CID 537714) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(aziridin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-imine.

Molecular Properties

Compound Name3-(aziridin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-imine
PubChem CID537714
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(aziridin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-imine
SMILESC(\CCN1CC1)=N/CC1CCCO1
InChIInChI=1S/C10H18N2O/c1-3-10(13-8-1)9-11-4-2-5-12-6-7-12/h4,10H,1-3,5-9H2/b11-4+
InChIKeyZFEDIYOCTIJEKX-NYYWCZLTSA-N
XLogP0.94
TPSA24.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(aziridin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-imine?
The IUPAC name of 3-(aziridin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-imine (CID 537714) is 3-(aziridin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-imine.
What is the SMILES notation for 3-(aziridin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-imine?
The canonical SMILES for 3-(aziridin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-imine is C(\CCN1CC1)=N/CC1CCCO1.
What is the InChIKey of 3-(aziridin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-imine?
The InChIKey is ZFEDIYOCTIJEKX-NYYWCZLTSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-10(13-8-1)9-11-4-2-5-12-6-7-12/h4,10H,1-3,5-9H2/b11-4+.
What are the key properties of 3-(aziridin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-imine?
3-(aziridin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-imine has a molecular weight of 182.27 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aziridin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-imine is sourced from PubChem (CID 537714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).