N-(2-methoxyethyl)oxan-4-amine;hydrochloride

C8H18ClNO2 — CID 110204327

IUPACN-(2-methoxyethyl)oxan-4-amine;hydrochloride
SMILESCOCCNC1CCOCC1.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-10-7-4-9-8-2-5-11-6-3-8;/h8-9H,2-7H2,1H3;1H
InChIKeyUHPPGGUFQQGITR-UHFFFAOYSA-N
MW195.69 g/mol
LogP0.82
Rot. Bonds4

About N-(2-methoxyethyl)oxan-4-amine;hydrochloride

N-(2-methoxyethyl)oxan-4-amine;hydrochloride (PubChem CID 110204327) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is N-(2-methoxyethyl)oxan-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)oxan-4-amine;hydrochloride
PubChem CID110204327
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC NameN-(2-methoxyethyl)oxan-4-amine;hydrochloride
SMILESCOCCNC1CCOCC1.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-10-7-4-9-8-2-5-11-6-3-8;/h8-9H,2-7H2,1H3;1H
InChIKeyUHPPGGUFQQGITR-UHFFFAOYSA-N
XLogP0.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
N-(2-ethoxyethyl)oxan-4-amine
CID 43608661
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
N-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine
CID 63098311
N-(2-methoxyethyl)thian-4-amine;hydrochloride
CID 86811713
N-[2-(2-ethoxyethoxy)ethyl]oxan-4-amine
CID 63099695
N-(2-cyclopentyloxyethyl)oxan-4-amine
CID 63099341
N-(4-methoxybutyl)oxolan-3-amine
CID 63335646
N-(2-pentoxyethyl)oxan-4-amine
CID 63099879
N-propyloxan-4-amine
CID 18348908
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine
CID 63097957

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)oxan-4-amine;hydrochloride?
The IUPAC name of N-(2-methoxyethyl)oxan-4-amine;hydrochloride (CID 110204327) is N-(2-methoxyethyl)oxan-4-amine;hydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)oxan-4-amine;hydrochloride?
The canonical SMILES for N-(2-methoxyethyl)oxan-4-amine;hydrochloride is COCCNC1CCOCC1.Cl.
What is the InChIKey of N-(2-methoxyethyl)oxan-4-amine;hydrochloride?
The InChIKey is UHPPGGUFQQGITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-10-7-4-9-8-2-5-11-6-3-8;/h8-9H,2-7H2,1H3;1H.
What are the key properties of N-(2-methoxyethyl)oxan-4-amine;hydrochloride?
N-(2-methoxyethyl)oxan-4-amine;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)oxan-4-amine;hydrochloride is sourced from PubChem (CID 110204327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).