N-[1-(oxan-4-yl)ethyl]oxan-3-amine

C12H23NO2 — CID 115717980

IUPACN-[1-(oxan-4-yl)ethyl]oxan-3-amine
SMILESCC(NC1CCCOC1)C1CCOCC1
InChIInChI=1S/C12H23NO2/c1-10(11-4-7-14-8-5-11)13-12-3-2-6-15-9-12/h10-13H,2-9H2,1H3
InChIKeyVWZSGGNBOFYRDU-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.57
Rot. Bonds3

About N-[1-(oxan-4-yl)ethyl]oxan-3-amine

N-[1-(oxan-4-yl)ethyl]oxan-3-amine (PubChem CID 115717980) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]oxan-3-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]oxan-3-amine
PubChem CID115717980
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[1-(oxan-4-yl)ethyl]oxan-3-amine
SMILESCC(NC1CCCOC1)C1CCOCC1
InChIInChI=1S/C12H23NO2/c1-10(11-4-7-14-8-5-11)13-12-3-2-6-15-9-12/h10-13H,2-9H2,1H3
InChIKeyVWZSGGNBOFYRDU-UHFFFAOYSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]oxan-3-amine?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]oxan-3-amine (CID 115717980) is N-[1-(oxan-4-yl)ethyl]oxan-3-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]oxan-3-amine?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]oxan-3-amine is CC(NC1CCCOC1)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]oxan-3-amine?
The InChIKey is VWZSGGNBOFYRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(11-4-7-14-8-5-11)13-12-3-2-6-15-9-12/h10-13H,2-9H2,1H3.
What are the key properties of N-[1-(oxan-4-yl)ethyl]oxan-3-amine?
N-[1-(oxan-4-yl)ethyl]oxan-3-amine has a molecular weight of 213.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]oxan-3-amine is sourced from PubChem (CID 115717980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).