oxan-4-ylmethanamine

C6H13NO — CID 2773210

IUPACoxan-4-ylmethanamine
SMILESNCC1CCOCC1
InChIInChI=1S/C6H13NO/c7-5-6-1-3-8-4-2-6/h6H,1-5,7H2
InChIKeyIPBPLHNLRKRLPJ-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.37
Rot. Bonds1

About oxan-4-ylmethanamine

oxan-4-ylmethanamine (PubChem CID 2773210) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is oxan-4-ylmethanamine.

Molecular Properties

Compound Nameoxan-4-ylmethanamine
PubChem CID2773210
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Nameoxan-4-ylmethanamine
SMILESNCC1CCOCC1
InChIInChI=1S/C6H13NO/c7-5-6-1-3-8-4-2-6/h6H,1-5,7H2
InChIKeyIPBPLHNLRKRLPJ-UHFFFAOYSA-N
XLogP0.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethanamine?
The IUPAC name of oxan-4-ylmethanamine (CID 2773210) is oxan-4-ylmethanamine.
What is the SMILES notation for oxan-4-ylmethanamine?
The canonical SMILES for oxan-4-ylmethanamine is NCC1CCOCC1.
What is the InChIKey of oxan-4-ylmethanamine?
The InChIKey is IPBPLHNLRKRLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c7-5-6-1-3-8-4-2-6/h6H,1-5,7H2.
What are the key properties of oxan-4-ylmethanamine?
oxan-4-ylmethanamine has a molecular weight of 115.18 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethanamine is sourced from PubChem (CID 2773210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).