N,N-diethylethanamine;methanediimine;hydrochloride

C7H18ClN3 — CID 175172874

IUPACN,N-diethylethanamine;methanediimine;hydrochloride
SMILESCCN(CC)CC.Cl.N=C=N
InChIInChI=1S/C6H15N.CH2N2.ClH/c1-4-7(5-2)6-3;2-1-3;/h4-6H2,1-3H3;2-3H;1H
InChIKeyUUJFKDIBCVJMTM-UHFFFAOYSA-N
MW179.69 g/mol
LogP2.09
Rot. Bonds3

About N,N-diethylethanamine;methanediimine;hydrochloride

N,N-diethylethanamine;methanediimine;hydrochloride (PubChem CID 175172874) has the molecular formula C7H18ClN3 and a molecular weight of 179.69 g/mol. Its IUPAC name is N,N-diethylethanamine;methanediimine;hydrochloride.

Molecular Properties

Compound NameN,N-diethylethanamine;methanediimine;hydrochloride
PubChem CID175172874
Molecular FormulaC7H18ClN3
Molecular Weight179.69 g/mol
Exact Mass179.12
IUPAC NameN,N-diethylethanamine;methanediimine;hydrochloride
SMILESCCN(CC)CC.Cl.N=C=N
InChIInChI=1S/C6H15N.CH2N2.ClH/c1-4-7(5-2)6-3;2-1-3;/h4-6H2,1-3H3;2-3H;1H
InChIKeyUUJFKDIBCVJMTM-UHFFFAOYSA-N
XLogP2.09
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 52.09
H-Bond Donors ≤ 52
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;methanediimine;hydrochloride?
The IUPAC name of N,N-diethylethanamine;methanediimine;hydrochloride (CID 175172874) is N,N-diethylethanamine;methanediimine;hydrochloride.
What is the SMILES notation for N,N-diethylethanamine;methanediimine;hydrochloride?
The canonical SMILES for N,N-diethylethanamine;methanediimine;hydrochloride is CCN(CC)CC.Cl.N=C=N.
What is the InChIKey of N,N-diethylethanamine;methanediimine;hydrochloride?
The InChIKey is UUJFKDIBCVJMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.CH2N2.ClH/c1-4-7(5-2)6-3;2-1-3;/h4-6H2,1-3H3;2-3H;1H.
What are the key properties of N,N-diethylethanamine;methanediimine;hydrochloride?
N,N-diethylethanamine;methanediimine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;methanediimine;hydrochloride is sourced from PubChem (CID 175172874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).