N-[(E)-1-[3-[ethyl(methyl)amino]propylideneamino]prop-1-en-2-yl]acetamide

C11H21N3O — CID 123626288

IUPACN-[(E)-1-[3-[ethyl(methyl)amino]propylideneamino]prop-1-en-2-yl]acetamide
SMILESCCN(C)CC/C=N/C=C(\C)NC(C)=O
InChIInChI=1S/C11H21N3O/c1-5-14(4)8-6-7-12-9-10(2)13-11(3)15/h7,9H,5-6,8H2,1-4H3,(H,13,15)/b10-9+,12-7+
InChIKeyOTUPVNZYWKBQEM-YQDZKPHZSA-N
MW211.31 g/mol
LogP1.40
Rot. Bonds6

About N-[(E)-1-[3-[ethyl(methyl)amino]propylideneamino]prop-1-en-2-yl]acetamide

N-[(E)-1-[3-[ethyl(methyl)amino]propylideneamino]prop-1-en-2-yl]acetamide (PubChem CID 123626288) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[(E)-1-[3-[ethyl(methyl)amino]propylideneamino]prop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-1-[3-[ethyl(methyl)amino]propylideneamino]prop-1-en-2-yl]acetamide
PubChem CID123626288
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[(E)-1-[3-[ethyl(methyl)amino]propylideneamino]prop-1-en-2-yl]acetamide
SMILESCCN(C)CC/C=N/C=C(\C)NC(C)=O
InChIInChI=1S/C11H21N3O/c1-5-14(4)8-6-7-12-9-10(2)13-11(3)15/h7,9H,5-6,8H2,1-4H3,(H,13,15)/b10-9+,12-7+
InChIKeyOTUPVNZYWKBQEM-YQDZKPHZSA-N
XLogP1.40
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-[4-[acetyl(methyl)amino]butan-2-ylamino]prop-1-enyl]imino-N-methylpropanamide
CID 90245596
ethane;6-ethyl-1H-pyrazin-2-one
CID 143669024
ethane;6-methyl-1H-pyrazin-2-one
CID 144623429
ethane;N-(3-ethenyliminoprop-1-en-2-yl)acetamide
CID 145084292
ethane;N-[(3Z)-4-(ethylideneamino)buta-1,3-dien-2-yl]acetamide
CID 145561481
4,6-dimethyl-1H-pyrazin-4-ium-2-one
CID 13888350

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[3-[ethyl(methyl)amino]propylideneamino]prop-1-en-2-yl]acetamide?
The IUPAC name of N-[(E)-1-[3-[ethyl(methyl)amino]propylideneamino]prop-1-en-2-yl]acetamide (CID 123626288) is N-[(E)-1-[3-[ethyl(methyl)amino]propylideneamino]prop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(E)-1-[3-[ethyl(methyl)amino]propylideneamino]prop-1-en-2-yl]acetamide?
The canonical SMILES for N-[(E)-1-[3-[ethyl(methyl)amino]propylideneamino]prop-1-en-2-yl]acetamide is CCN(C)CC/C=N/C=C(\C)NC(C)=O.
What is the InChIKey of N-[(E)-1-[3-[ethyl(methyl)amino]propylideneamino]prop-1-en-2-yl]acetamide?
The InChIKey is OTUPVNZYWKBQEM-YQDZKPHZSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-14(4)8-6-7-12-9-10(2)13-11(3)15/h7,9H,5-6,8H2,1-4H3,(H,13,15)/b10-9+,12-7+.
What are the key properties of N-[(E)-1-[3-[ethyl(methyl)amino]propylideneamino]prop-1-en-2-yl]acetamide?
N-[(E)-1-[3-[ethyl(methyl)amino]propylideneamino]prop-1-en-2-yl]acetamide has a molecular weight of 211.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[3-[ethyl(methyl)amino]propylideneamino]prop-1-en-2-yl]acetamide is sourced from PubChem (CID 123626288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).