N-[2-(azetidin-3-yl)propyl]-N-methyloxan-4-amine

C12H24N2O — CID 116679458

IUPACN-[2-(azetidin-3-yl)propyl]-N-methyloxan-4-amine
SMILESCC(CN(C)C1CCOCC1)C1CNC1
InChIInChI=1S/C12H24N2O/c1-10(11-7-13-8-11)9-14(2)12-3-5-15-6-4-12/h10-13H,3-9H2,1-2H3
InChIKeyXFHQPGRVXGURAH-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.95
Rot. Bonds4

About N-[2-(azetidin-3-yl)propyl]-N-methyloxan-4-amine

N-[2-(azetidin-3-yl)propyl]-N-methyloxan-4-amine (PubChem CID 116679458) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)propyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)propyl]-N-methyloxan-4-amine
PubChem CID116679458
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[2-(azetidin-3-yl)propyl]-N-methyloxan-4-amine
SMILESCC(CN(C)C1CCOCC1)C1CNC1
InChIInChI=1S/C12H24N2O/c1-10(11-7-13-8-11)9-14(2)12-3-5-15-6-4-12/h10-13H,3-9H2,1-2H3
InChIKeyXFHQPGRVXGURAH-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)propyl]-N-methyloxan-4-amine?
The IUPAC name of N-[2-(azetidin-3-yl)propyl]-N-methyloxan-4-amine (CID 116679458) is N-[2-(azetidin-3-yl)propyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[2-(azetidin-3-yl)propyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[2-(azetidin-3-yl)propyl]-N-methyloxan-4-amine is CC(CN(C)C1CCOCC1)C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-yl)propyl]-N-methyloxan-4-amine?
The InChIKey is XFHQPGRVXGURAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(11-7-13-8-11)9-14(2)12-3-5-15-6-4-12/h10-13H,3-9H2,1-2H3.
What are the key properties of N-[2-(azetidin-3-yl)propyl]-N-methyloxan-4-amine?
N-[2-(azetidin-3-yl)propyl]-N-methyloxan-4-amine has a molecular weight of 212.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)propyl]-N-methyloxan-4-amine is sourced from PubChem (CID 116679458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).