N-ethyl-1-(methylideneamino)ethanamine

C5H12N2 — CID 57277345

IUPACN-ethyl-1-(methylideneamino)ethanamine
SMILESC=NC(C)NCC
InChIInChI=1S/C5H12N2/c1-4-7-5(2)6-3/h5,7H,3-4H2,1-2H3
InChIKeyURTMUIKORNATLP-UHFFFAOYSA-N
MW100.17 g/mol
LogP0.64
Rot. Bonds3

About N-ethyl-1-(methylideneamino)ethanamine

N-ethyl-1-(methylideneamino)ethanamine (PubChem CID 57277345) has the molecular formula C5H12N2 and a molecular weight of 100.17 g/mol. Its IUPAC name is N-ethyl-1-(methylideneamino)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(methylideneamino)ethanamine
PubChem CID57277345
Molecular FormulaC5H12N2
Molecular Weight100.17 g/mol
Exact Mass100.10
IUPAC NameN-ethyl-1-(methylideneamino)ethanamine
SMILESC=NC(C)NCC
InChIInChI=1S/C5H12N2/c1-4-7-5(2)6-3/h5,7H,3-4H2,1-2H3
InChIKeyURTMUIKORNATLP-UHFFFAOYSA-N
XLogP0.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.17
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-1-(methylideneamino)ethanamine?
The IUPAC name of N-ethyl-1-(methylideneamino)ethanamine (CID 57277345) is N-ethyl-1-(methylideneamino)ethanamine.
What is the SMILES notation for N-ethyl-1-(methylideneamino)ethanamine?
The canonical SMILES for N-ethyl-1-(methylideneamino)ethanamine is C=NC(C)NCC.
What is the InChIKey of N-ethyl-1-(methylideneamino)ethanamine?
The InChIKey is URTMUIKORNATLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-4-7-5(2)6-3/h5,7H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-(methylideneamino)ethanamine?
N-ethyl-1-(methylideneamino)ethanamine has a molecular weight of 100.17 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(methylideneamino)ethanamine is sourced from PubChem (CID 57277345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).