2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide

C12H21N3O — CID 134406206

IUPAC2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide
SMILESC=N/C(C)=C\C=C(/C)CNC(=O)CNCC
InChIInChI=1S/C12H21N3O/c1-5-14-9-12(16)15-8-10(2)6-7-11(3)13-4/h6-7,14H,4-5,8-9H2,1-3H3,(H,15,16)/b10-6+,11-7-
InChIKeyCCUYCLKQLXXUQH-QZTBCQRESA-N
MW223.32 g/mol
LogP1.26
Rot. Bonds7

About 2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide

2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide (PubChem CID 134406206) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide
PubChem CID134406206
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide
SMILESC=N/C(C)=C\C=C(/C)CNC(=O)CNCC
InChIInChI=1S/C12H21N3O/c1-5-14-9-12(16)15-8-10(2)6-7-11(3)13-4/h6-7,14H,4-5,8-9H2,1-3H3,(H,15,16)/b10-6+,11-7-
InChIKeyCCUYCLKQLXXUQH-QZTBCQRESA-N
XLogP1.26
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide?
The IUPAC name of 2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide (CID 134406206) is 2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide.
What is the SMILES notation for 2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide?
The canonical SMILES for 2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide is C=N/C(C)=C\C=C(/C)CNC(=O)CNCC.
What is the InChIKey of 2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide?
The InChIKey is CCUYCLKQLXXUQH-QZTBCQRESA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-14-9-12(16)15-8-10(2)6-7-11(3)13-4/h6-7,14H,4-5,8-9H2,1-3H3,(H,15,16)/b10-6+,11-7-.
What are the key properties of 2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide?
2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(2E,4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dienyl]acetamide is sourced from PubChem (CID 134406206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).