N,N-diethylethanamine;methanediimine

C7H17N3 — CID 87614846

IUPACN,N-diethylethanamine;methanediimine
SMILESCCN(CC)CC.N=C=N
InChIInChI=1S/C6H15N.CH2N2/c1-4-7(5-2)6-3;2-1-3/h4-6H2,1-3H3;2-3H
InChIKeyCPVGGKDFRMSWKC-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.67
Rot. Bonds3

About N,N-diethylethanamine;methanediimine

N,N-diethylethanamine;methanediimine (PubChem CID 87614846) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is N,N-diethylethanamine;methanediimine.

Molecular Properties

Compound NameN,N-diethylethanamine;methanediimine
PubChem CID87614846
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC NameN,N-diethylethanamine;methanediimine
SMILESCCN(CC)CC.N=C=N
InChIInChI=1S/C6H15N.CH2N2/c1-4-7(5-2)6-3;2-1-3/h4-6H2,1-3H3;2-3H
InChIKeyCPVGGKDFRMSWKC-UHFFFAOYSA-N
XLogP1.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.67
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?
The IUPAC name of N,N-diethylethanamine;methanediimine (CID 87614846) is N,N-diethylethanamine;methanediimine.
What is the SMILES notation for N,N-diethylethanamine;methanediimine?
The canonical SMILES for N,N-diethylethanamine;methanediimine is CCN(CC)CC.N=C=N.
What is the InChIKey of N,N-diethylethanamine;methanediimine?
The InChIKey is CPVGGKDFRMSWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.CH2N2/c1-4-7(5-2)6-3;2-1-3/h4-6H2,1-3H3;2-3H.
What are the key properties of N,N-diethylethanamine;methanediimine?
N,N-diethylethanamine;methanediimine has a molecular weight of 143.23 g/mol, XLogP of 1.67, 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 is sourced from PubChem (CID 87614846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).