N,N-dimethylethanamine;methanediimine

C5H13N3 — CID 174772581

IUPACN,N-dimethylethanamine;methanediimine
SMILESCCN(C)C.N=C=N
InChIInChI=1S/C4H11N.CH2N2/c1-4-5(2)3;2-1-3/h4H2,1-3H3;2-3H
InChIKeyHRPVKUOWXRTHOE-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.89
Rot. Bonds1

About N,N-dimethylethanamine;methanediimine

N,N-dimethylethanamine;methanediimine (PubChem CID 174772581) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is N,N-dimethylethanamine;methanediimine.

Molecular Properties

Compound NameN,N-dimethylethanamine;methanediimine
PubChem CID174772581
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC NameN,N-dimethylethanamine;methanediimine
SMILESCCN(C)C.N=C=N
InChIInChI=1S/C4H11N.CH2N2/c1-4-5(2)3;2-1-3/h4H2,1-3H3;2-3H
InChIKeyHRPVKUOWXRTHOE-UHFFFAOYSA-N
XLogP0.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.89
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-dimethylethanamine;methanediimine?
The IUPAC name of N,N-dimethylethanamine;methanediimine (CID 174772581) is N,N-dimethylethanamine;methanediimine.
What is the SMILES notation for N,N-dimethylethanamine;methanediimine?
The canonical SMILES for N,N-dimethylethanamine;methanediimine is CCN(C)C.N=C=N.
What is the InChIKey of N,N-dimethylethanamine;methanediimine?
The InChIKey is HRPVKUOWXRTHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.CH2N2/c1-4-5(2)3;2-1-3/h4H2,1-3H3;2-3H.
What are the key properties of N,N-dimethylethanamine;methanediimine?
N,N-dimethylethanamine;methanediimine has a molecular weight of 115.18 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;methanediimine is sourced from PubChem (CID 174772581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).