N,N-diethylethanamine;N'-ethylmethanediimine;hydrochloride

C9H22ClN3 — CID 159438217

IUPACN,N-diethylethanamine;N'-ethylmethanediimine;hydrochloride
SMILESCCN(CC)CC.CCN=C=N.Cl
InChIInChI=1S/C6H15N.C3H6N2.ClH/c1-4-7(5-2)6-3;1-2-5-3-4;/h4-6H2,1-3H3;4H,2H2,1H3;1H
InChIKeyXKTPUJTYRNJBKQ-UHFFFAOYSA-N
MW207.75 g/mol
LogP2.53
Rot. Bonds4

About N,N-diethylethanamine;N'-ethylmethanediimine;hydrochloride

N,N-diethylethanamine;N'-ethylmethanediimine;hydrochloride (PubChem CID 159438217) has the molecular formula C9H22ClN3 and a molecular weight of 207.75 g/mol. Its IUPAC name is N,N-diethylethanamine;N'-ethylmethanediimine;hydrochloride.

Molecular Properties

Compound NameN,N-diethylethanamine;N'-ethylmethanediimine;hydrochloride
PubChem CID159438217
Molecular FormulaC9H22ClN3
Molecular Weight207.75 g/mol
Exact Mass207.15
IUPAC NameN,N-diethylethanamine;N'-ethylmethanediimine;hydrochloride
SMILESCCN(CC)CC.CCN=C=N.Cl
InChIInChI=1S/C6H15N.C3H6N2.ClH/c1-4-7(5-2)6-3;1-2-5-3-4;/h4-6H2,1-3H3;4H,2H2,1H3;1H
InChIKeyXKTPUJTYRNJBKQ-UHFFFAOYSA-N
XLogP2.53
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.75
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;N'-ethylmethanediimine;hydrochloride?
The IUPAC name of N,N-diethylethanamine;N'-ethylmethanediimine;hydrochloride (CID 159438217) is N,N-diethylethanamine;N'-ethylmethanediimine;hydrochloride.
What is the SMILES notation for N,N-diethylethanamine;N'-ethylmethanediimine;hydrochloride?
The canonical SMILES for N,N-diethylethanamine;N'-ethylmethanediimine;hydrochloride is CCN(CC)CC.CCN=C=N.Cl.
What is the InChIKey of N,N-diethylethanamine;N'-ethylmethanediimine;hydrochloride?
The InChIKey is XKTPUJTYRNJBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C3H6N2.ClH/c1-4-7(5-2)6-3;1-2-5-3-4;/h4-6H2,1-3H3;4H,2H2,1H3;1H.
What are the key properties of N,N-diethylethanamine;N'-ethylmethanediimine;hydrochloride?
N,N-diethylethanamine;N'-ethylmethanediimine;hydrochloride has a molecular weight of 207.75 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;N'-ethylmethanediimine;hydrochloride is sourced from PubChem (CID 159438217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).