N-(ethylideneamino)-N-methylethanamine

C5H12N2 — CID 18714588

IUPACN-(ethylideneamino)-N-methylethanamine
SMILESCC=NN(C)CC
InChIInChI=1S/C5H12N2/c1-4-6-7(3)5-2/h4H,5H2,1-3H3
InChIKeyZASSTLOPZXTJFX-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.94
Rot. Bonds2

About N-(ethylideneamino)-N-methylethanamine

N-(ethylideneamino)-N-methylethanamine (PubChem CID 18714588) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N-(ethylideneamino)-N-methylethanamine.

Molecular Properties

Compound NameN-(ethylideneamino)-N-methylethanamine
PubChem CID18714588
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN-(ethylideneamino)-N-methylethanamine
SMILESCC=NN(C)CC
InChIInChI=1S/C5H12N2/c1-4-6-7(3)5-2/h4H,5H2,1-3H3
InChIKeyZASSTLOPZXTJFX-UHFFFAOYSA-N
XLogP0.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(ethylideneamino)-N-methylethanamine?
The IUPAC name of N-(ethylideneamino)-N-methylethanamine (CID 18714588) is N-(ethylideneamino)-N-methylethanamine.
What is the SMILES notation for N-(ethylideneamino)-N-methylethanamine?
The canonical SMILES for N-(ethylideneamino)-N-methylethanamine is CC=NN(C)CC.
What is the InChIKey of N-(ethylideneamino)-N-methylethanamine?
The InChIKey is ZASSTLOPZXTJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-4-6-7(3)5-2/h4H,5H2,1-3H3.
What are the key properties of N-(ethylideneamino)-N-methylethanamine?
N-(ethylideneamino)-N-methylethanamine has a molecular weight of 100.16 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylideneamino)-N-methylethanamine is sourced from PubChem (CID 18714588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).