N-ethyl-N-(2-methylbut-2-enylideneamino)ethanamine

C9H18N2 — CID 547488

IUPACN-ethyl-N-(2-methylbut-2-enylideneamino)ethanamine
SMILESCC=C(C)C=NN(CC)CC
InChIInChI=1S/C9H18N2/c1-5-9(4)8-10-11(6-2)7-3/h5,8H,6-7H2,1-4H3
InChIKeyGJHYEYLGKWDLMY-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.28
Rot. Bonds4

About N-ethyl-N-(2-methylbut-2-enylideneamino)ethanamine

N-ethyl-N-(2-methylbut-2-enylideneamino)ethanamine (PubChem CID 547488) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-ethyl-N-(2-methylbut-2-enylideneamino)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(2-methylbut-2-enylideneamino)ethanamine
PubChem CID547488
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-ethyl-N-(2-methylbut-2-enylideneamino)ethanamine
SMILESCC=C(C)C=NN(CC)CC
InChIInChI=1S/C9H18N2/c1-5-9(4)8-10-11(6-2)7-3/h5,8H,6-7H2,1-4H3
InChIKeyGJHYEYLGKWDLMY-UHFFFAOYSA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.28
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-ethyl-N-(2-methylbut-2-enylideneamino)ethanamine?
The IUPAC name of N-ethyl-N-(2-methylbut-2-enylideneamino)ethanamine (CID 547488) is N-ethyl-N-(2-methylbut-2-enylideneamino)ethanamine.
What is the SMILES notation for N-ethyl-N-(2-methylbut-2-enylideneamino)ethanamine?
The canonical SMILES for N-ethyl-N-(2-methylbut-2-enylideneamino)ethanamine is CC=C(C)C=NN(CC)CC.
What is the InChIKey of N-ethyl-N-(2-methylbut-2-enylideneamino)ethanamine?
The InChIKey is GJHYEYLGKWDLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-9(4)8-10-11(6-2)7-3/h5,8H,6-7H2,1-4H3.
What are the key properties of N-ethyl-N-(2-methylbut-2-enylideneamino)ethanamine?
N-ethyl-N-(2-methylbut-2-enylideneamino)ethanamine has a molecular weight of 154.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylbut-2-enylideneamino)ethanamine is sourced from PubChem (CID 547488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).