oxolan-3-amine;hydrochloride

C4H10ClNO — CID 22239904

IUPACoxolan-3-amine;hydrochloride
SMILESCl.NC1CCOC1
InChIInChI=1S/C4H9NO.ClH/c5-4-1-2-6-3-4;/h4H,1-3,5H2;1H
InChIKeyMHOVLDXJDIEEMJ-UHFFFAOYSA-N
MW123.58 g/mol
LogP0.16
Rot. Bonds

About oxolan-3-amine;hydrochloride

oxolan-3-amine;hydrochloride (PubChem CID 22239904) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is oxolan-3-amine;hydrochloride.

Molecular Properties

Compound Nameoxolan-3-amine;hydrochloride
PubChem CID22239904
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC Nameoxolan-3-amine;hydrochloride
SMILESCl.NC1CCOC1
InChIInChI=1S/C4H9NO.ClH/c5-4-1-2-6-3-4;/h4H,1-3,5H2;1H
InChIKeyMHOVLDXJDIEEMJ-UHFFFAOYSA-N
XLogP0.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Oxolan-3-amine
CID 3365553
(3S)-oxolan-3-amine hydrochloride
CID 18664284
(3R,4R)-Tetrahydrofuran-3,4-diamine
CID 14171650
(R)-3-Aminotetrahydrofuran
CID 10996958
(R)-1-methoxybutan-2-amine hydrochloride
CID 21035683
(3R)-3-Aminotetrahydrofuran hydrochloride
CID 46856371
(S)-1-methoxybutan-2-amine hydrochloride
CID 46941497
(3R,4S)-oxolane-3,4-diamine dihydrochloride
CID 54593039
4-Methyloxolan-3-amine
CID 59657855
4,4-Dimethyloxolan-3-amine hydrochloride
CID 67002020
rac-(3R,4R)-oxolane-3,4-diamine dihydrochloride
CID 71304766
(3R,4R)-Oxolane-3,4-diamine--hydrogen chloride (1/2)
CID 71607268

Frequently Asked Questions

What is the IUPAC name of oxolan-3-amine;hydrochloride?
The IUPAC name of oxolan-3-amine;hydrochloride (CID 22239904) is oxolan-3-amine;hydrochloride.
What is the SMILES notation for oxolan-3-amine;hydrochloride?
The canonical SMILES for oxolan-3-amine;hydrochloride is Cl.NC1CCOC1.
What is the InChIKey of oxolan-3-amine;hydrochloride?
The InChIKey is MHOVLDXJDIEEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.ClH/c5-4-1-2-6-3-4;/h4H,1-3,5H2;1H.
What are the key properties of oxolan-3-amine;hydrochloride?
oxolan-3-amine;hydrochloride has a molecular weight of 123.58 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-amine;hydrochloride is sourced from PubChem (CID 22239904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).