oxolan-3-amine

C4H9NO — CID 3365553

IUPACoxolan-3-amine
SMILESNC1CCOC1
InChIInChI=1S/C4H9NO/c5-4-1-2-6-3-4/h4H,1-3,5H2
InChIKeyMIPHRQMEIYLZFZ-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.27
Rot. Bonds

About oxolan-3-amine

oxolan-3-amine (PubChem CID 3365553) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is oxolan-3-amine.

Molecular Properties

Compound Nameoxolan-3-amine
PubChem CID3365553
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Nameoxolan-3-amine
SMILESNC1CCOC1
InChIInChI=1S/C4H9NO/c5-4-1-2-6-3-4/h4H,1-3,5H2
InChIKeyMIPHRQMEIYLZFZ-UHFFFAOYSA-N
XLogP-0.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-oxolan-3-amine hydrochloride
CID 18664284
(3R,4R)-Tetrahydrofuran-3,4-diamine
CID 14171650
(R)-3-Aminotetrahydrofuran
CID 10996958
2-Methyloxolan-3-amine
CID 17834171
3-Aminotetrahydrofuran hydrochloride
CID 22239904
(3R)-3-Aminotetrahydrofuran hydrochloride
CID 46856371
(3R,4S)-oxolane-3,4-diamine dihydrochloride
CID 54593039
4-Methyloxolan-3-amine
CID 59657855
rac-(3R,4R)-oxolane-3,4-diamine dihydrochloride
CID 71304766
(3R,4R)-Oxolane-3,4-diamine--hydrogen chloride (1/2)
CID 71607268
trans-4-Fluorotetrahydrofuran-3-amine hydrochloride
CID 105428309
rac-(3R,4S)-4-methyloxolan-3-amine hydrochloride
CID 131632274

Frequently Asked Questions

What is the IUPAC name of oxolan-3-amine?
The IUPAC name of oxolan-3-amine (CID 3365553) is oxolan-3-amine.
What is the SMILES notation for oxolan-3-amine?
The canonical SMILES for oxolan-3-amine is NC1CCOC1.
What is the InChIKey of oxolan-3-amine?
The InChIKey is MIPHRQMEIYLZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c5-4-1-2-6-3-4/h4H,1-3,5H2.
What are the key properties of oxolan-3-amine?
oxolan-3-amine has a molecular weight of 87.12 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-amine is sourced from PubChem (CID 3365553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).