oxan-3-amine

C5H11NO — CID 5200320

IUPACoxan-3-amine
SMILESNC1CCCOC1
InChIInChI=1S/C5H11NO/c6-5-2-1-3-7-4-5/h5H,1-4,6H2
InChIKeyWUUOEJJGRCQGBQ-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.12
Rot. Bonds

About oxan-3-amine

oxan-3-amine (PubChem CID 5200320) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is oxan-3-amine.

Molecular Properties

Compound Nameoxan-3-amine
PubChem CID5200320
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Nameoxan-3-amine
SMILESNC1CCCOC1
InChIInChI=1S/C5H11NO/c6-5-2-1-3-7-4-5/h5H,1-4,6H2
InChIKeyWUUOEJJGRCQGBQ-UHFFFAOYSA-N
XLogP0.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

oxan-3-amine;2,2,2-trifluoroacetic acid
CID 78048070
(3R)-3-[(3S)-oxan-3-yl]oxane
CID 122223544
3-methyl-3-(oxan-3-yl)cyclopentan-1-amine
CID 107137841
9-(oxan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 63361631
1-(oxan-3-ylmethyl)piperidin-3-amine
CID 63741135
bis(oxan-3-yl)methanamine
CID 107136437
(3R)-oxane-3-carbothioamide
CID 96581763
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
1-(oxan-3-yl)propan-2-amine
CID 63737520
2-(oxan-3-yl)oxan-3-amine
CID 79364685
methanidyl(oxan-3-yl)azanium
CID 155624992

Frequently Asked Questions

What is the IUPAC name of oxan-3-amine?
The IUPAC name of oxan-3-amine (CID 5200320) is oxan-3-amine.
What is the SMILES notation for oxan-3-amine?
The canonical SMILES for oxan-3-amine is NC1CCCOC1.
What is the InChIKey of oxan-3-amine?
The InChIKey is WUUOEJJGRCQGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c6-5-2-1-3-7-4-5/h5H,1-4,6H2.
What are the key properties of oxan-3-amine?
oxan-3-amine has a molecular weight of 101.15 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-amine is sourced from PubChem (CID 5200320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).