N-ethoxyethanamine;hydrochloride

C4H12ClNO — CID 22415890

IUPACN-ethoxyethanamine;hydrochloride
SMILESCCNOCC.Cl
InChIInChI=1S/C4H11NO.ClH/c1-3-5-6-4-2;/h5H,3-4H2,1-2H3;1H
InChIKeyZASOFMFAGALONO-UHFFFAOYSA-N
MW125.60 g/mol
LogP0.97
Rot. Bonds3

About N-ethoxyethanamine;hydrochloride

N-ethoxyethanamine;hydrochloride (PubChem CID 22415890) has the molecular formula C4H12ClNO and a molecular weight of 125.60 g/mol. Its IUPAC name is N-ethoxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-ethoxyethanamine;hydrochloride
PubChem CID22415890
Molecular FormulaC4H12ClNO
Molecular Weight125.60 g/mol
Exact Mass125.06
IUPAC NameN-ethoxyethanamine;hydrochloride
SMILESCCNOCC.Cl
InChIInChI=1S/C4H11NO.ClH/c1-3-5-6-4-2;/h5H,3-4H2,1-2H3;1H
InChIKeyZASOFMFAGALONO-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.60
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxyethanamine;hydrochloride?
The IUPAC name of N-ethoxyethanamine;hydrochloride (CID 22415890) is N-ethoxyethanamine;hydrochloride.
What is the SMILES notation for N-ethoxyethanamine;hydrochloride?
The canonical SMILES for N-ethoxyethanamine;hydrochloride is CCNOCC.Cl.
What is the InChIKey of N-ethoxyethanamine;hydrochloride?
The InChIKey is ZASOFMFAGALONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.ClH/c1-3-5-6-4-2;/h5H,3-4H2,1-2H3;1H.
What are the key properties of N-ethoxyethanamine;hydrochloride?
N-ethoxyethanamine;hydrochloride has a molecular weight of 125.60 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxyethanamine;hydrochloride is sourced from PubChem (CID 22415890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).