oxan-3-ylmethanamine

C6H13NO — CID 16761713

IUPACoxan-3-ylmethanamine
SMILESNCC1CCCOC1
InChIInChI=1S/C6H13NO/c7-4-6-2-1-3-8-5-6/h6H,1-5,7H2
InChIKeyZTCHEOLGUZDPAN-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.37
Rot. Bonds1

About oxan-3-ylmethanamine

oxan-3-ylmethanamine (PubChem CID 16761713) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is oxan-3-ylmethanamine.

Molecular Properties

Compound Nameoxan-3-ylmethanamine
PubChem CID16761713
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Nameoxan-3-ylmethanamine
SMILESNCC1CCCOC1
InChIInChI=1S/C6H13NO/c7-4-6-2-1-3-8-5-6/h6H,1-5,7H2
InChIKeyZTCHEOLGUZDPAN-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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Related Compounds

2-(Oxan-4-yl)ethan-1-amine
CID 2773198
Methyl(oxan-3-ylmethyl)amine
CID 12700139
2-(Oxan-3-yl)ethan-1-amine
CID 19101440
(Oxan-3-yl)methanamine hydrochloride
CID 22648120
2-(Oxan-4-yl)ethan-1-amine hydrochloride
CID 44118695
(3-Methyloxan-3-yl)methanamine
CID 63010634
2-(Oxan-4-yl)propan-1-amine
CID 55290013
(4,4-Difluorooxan-3-yl)methanamine hydrochloride
CID 145867097
3-methyltetrahydro-2H-pyran-4-amine
CID 21054638
(3-Fluorotetrahydro-2H-pyran-3-yl)methanamine
CID 84020606
(4,4-Difluorooxan-3-yl)methanamine
CID 84763241
[(3S)-3-fluorotetrahydropyran-3-yl]methanamine
CID 168963616

Frequently Asked Questions

What is the IUPAC name of oxan-3-ylmethanamine?
The IUPAC name of oxan-3-ylmethanamine (CID 16761713) is oxan-3-ylmethanamine.
What is the SMILES notation for oxan-3-ylmethanamine?
The canonical SMILES for oxan-3-ylmethanamine is NCC1CCCOC1.
What is the InChIKey of oxan-3-ylmethanamine?
The InChIKey is ZTCHEOLGUZDPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c7-4-6-2-1-3-8-5-6/h6H,1-5,7H2.
What are the key properties of oxan-3-ylmethanamine?
oxan-3-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-3-ylmethanamine is sourced from PubChem (CID 16761713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).