N-(oxetan-2-ylmethyl)ethanamine

C6H13NO — CID 89405664

IUPACN-(oxetan-2-ylmethyl)ethanamine
SMILESCCNCC1CCO1
InChIInChI=1S/C6H13NO/c1-2-7-5-6-3-4-8-6/h6-7H,2-5H2,1H3
InChIKeyQNJNBZKUHCWVQE-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.38
Rot. Bonds3

About N-(oxetan-2-ylmethyl)ethanamine

N-(oxetan-2-ylmethyl)ethanamine (PubChem CID 89405664) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-(oxetan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(oxetan-2-ylmethyl)ethanamine
PubChem CID89405664
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-(oxetan-2-ylmethyl)ethanamine
SMILESCCNCC1CCO1
InChIInChI=1S/C6H13NO/c1-2-7-5-6-3-4-8-6/h6-7H,2-5H2,1H3
InChIKeyQNJNBZKUHCWVQE-UHFFFAOYSA-N
XLogP0.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxetan-2-ylmethyl)ethanamine?
The IUPAC name of N-(oxetan-2-ylmethyl)ethanamine (CID 89405664) is N-(oxetan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(oxetan-2-ylmethyl)ethanamine?
The canonical SMILES for N-(oxetan-2-ylmethyl)ethanamine is CCNCC1CCO1.
What is the InChIKey of N-(oxetan-2-ylmethyl)ethanamine?
The InChIKey is QNJNBZKUHCWVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-7-5-6-3-4-8-6/h6-7H,2-5H2,1H3.
What are the key properties of N-(oxetan-2-ylmethyl)ethanamine?
N-(oxetan-2-ylmethyl)ethanamine has a molecular weight of 115.18 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxetan-2-ylmethyl)ethanamine is sourced from PubChem (CID 89405664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).