N-methyl-2-[2-(methylideneamino)ethoxy]ethanamine

C6H14N2O — CID 165402084

IUPACN-methyl-2-[2-(methylideneamino)ethoxy]ethanamine
SMILESC=NCCOCCNC
InChIInChI=1S/C6H14N2O/c1-7-3-5-9-6-4-8-2/h8H,1,3-6H2,2H3
InChIKeyLGZBKXBWQCOGRQ-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.08
Rot. Bonds6

About N-methyl-2-[2-(methylideneamino)ethoxy]ethanamine

N-methyl-2-[2-(methylideneamino)ethoxy]ethanamine (PubChem CID 165402084) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N-methyl-2-[2-(methylideneamino)ethoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(methylideneamino)ethoxy]ethanamine
PubChem CID165402084
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN-methyl-2-[2-(methylideneamino)ethoxy]ethanamine
SMILESC=NCCOCCNC
InChIInChI=1S/C6H14N2O/c1-7-3-5-9-6-4-8-2/h8H,1,3-6H2,2H3
InChIKeyLGZBKXBWQCOGRQ-UHFFFAOYSA-N
XLogP-0.08
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylideneamino)ethoxy]ethanamine?
The IUPAC name of N-methyl-2-[2-(methylideneamino)ethoxy]ethanamine (CID 165402084) is N-methyl-2-[2-(methylideneamino)ethoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(methylideneamino)ethoxy]ethanamine?
The canonical SMILES for N-methyl-2-[2-(methylideneamino)ethoxy]ethanamine is C=NCCOCCNC.
What is the InChIKey of N-methyl-2-[2-(methylideneamino)ethoxy]ethanamine?
The InChIKey is LGZBKXBWQCOGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-7-3-5-9-6-4-8-2/h8H,1,3-6H2,2H3.
What are the key properties of N-methyl-2-[2-(methylideneamino)ethoxy]ethanamine?
N-methyl-2-[2-(methylideneamino)ethoxy]ethanamine has a molecular weight of 130.19 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(methylideneamino)ethoxy]ethanamine is sourced from PubChem (CID 165402084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).