N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide

C12H21N3O — CID 134406768

IUPACN-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide
SMILESC=C(C)/N=C/C(=C\C)N(CCNC)C(C)=O
InChIInChI=1S/C12H21N3O/c1-6-12(9-14-10(2)3)15(11(4)16)8-7-13-5/h6,9,13H,2,7-8H2,1,3-5H3/b12-6+,14-9+
InChIKeyXZOROIXNOJSXRQ-WZGXVBCRSA-N
MW223.32 g/mol
LogP1.56
Rot. Bonds6

About N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide

N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide (PubChem CID 134406768) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide
PubChem CID134406768
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide
SMILESC=C(C)/N=C/C(=C\C)N(CCNC)C(C)=O
InChIInChI=1S/C12H21N3O/c1-6-12(9-14-10(2)3)15(11(4)16)8-7-13-5/h6,9,13H,2,7-8H2,1,3-5H3/b12-6+,14-9+
InChIKeyXZOROIXNOJSXRQ-WZGXVBCRSA-N
XLogP1.56
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
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-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide?
The IUPAC name of N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide (CID 134406768) is N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide is C=C(C)/N=C/C(=C\C)N(CCNC)C(C)=O.
What is the InChIKey of N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide?
The InChIKey is XZOROIXNOJSXRQ-WZGXVBCRSA-N. The full InChI is InChI=1S/C12H21N3O/c1-6-12(9-14-10(2)3)15(11(4)16)8-7-13-5/h6,9,13H,2,7-8H2,1,3-5H3/b12-6+,14-9+.
What are the key properties of N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide?
N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide is sourced from PubChem (CID 134406768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).