N-methyloxolan-3-amine;hydrochloride

C5H12ClNO — CID 53404832

IUPACN-methyloxolan-3-amine;hydrochloride
SMILESCNC1CCOC1.Cl
InChIInChI=1S/C5H11NO.ClH/c1-6-5-2-3-7-4-5;/h5-6H,2-4H2,1H3;1H
InChIKeyFHFUVNKNOZMSJF-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.42
Rot. Bonds1

About N-methyloxolan-3-amine;hydrochloride

N-methyloxolan-3-amine;hydrochloride (PubChem CID 53404832) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is N-methyloxolan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyloxolan-3-amine;hydrochloride
PubChem CID53404832
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC NameN-methyloxolan-3-amine;hydrochloride
SMILESCNC1CCOC1.Cl
InChIInChI=1S/C5H11NO.ClH/c1-6-5-2-3-7-4-5;/h5-6H,2-4H2,1H3;1H
InChIKeyFHFUVNKNOZMSJF-UHFFFAOYSA-N
XLogP0.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyloxolan-3-amine;hydrochloride?
The IUPAC name of N-methyloxolan-3-amine;hydrochloride (CID 53404832) is N-methyloxolan-3-amine;hydrochloride.
What is the SMILES notation for N-methyloxolan-3-amine;hydrochloride?
The canonical SMILES for N-methyloxolan-3-amine;hydrochloride is CNC1CCOC1.Cl.
What is the InChIKey of N-methyloxolan-3-amine;hydrochloride?
The InChIKey is FHFUVNKNOZMSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-6-5-2-3-7-4-5;/h5-6H,2-4H2,1H3;1H.
What are the key properties of N-methyloxolan-3-amine;hydrochloride?
N-methyloxolan-3-amine;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyloxolan-3-amine;hydrochloride is sourced from PubChem (CID 53404832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).