(Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide

C12H23N3O — CID 90246005

IUPAC(Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide
SMILESC=N/C=C\C(C)C(=O)NCCCN(C)CC
InChIInChI=1S/C12H23N3O/c1-5-15(4)10-6-8-14-12(16)11(2)7-9-13-3/h7,9,11H,3,5-6,8,10H2,1-2,4H3,(H,14,16)/b9-7-
InChIKeyGOYPZBGYIQVFLQ-CLFYSBASSA-N
MW225.34 g/mol
LogP1.29
Rot. Bonds8

About (Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide

(Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide (PubChem CID 90246005) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide.

Molecular Properties

Compound Name(Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide
PubChem CID90246005
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide
SMILESC=N/C=C\C(C)C(=O)NCCCN(C)CC
InChIInChI=1S/C12H23N3O/c1-5-15(4)10-6-8-14-12(16)11(2)7-9-13-3/h7,9,11H,3,5-6,8,10H2,1-2,4H3,(H,14,16)/b9-7-
InChIKeyGOYPZBGYIQVFLQ-CLFYSBASSA-N
XLogP1.29
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide?
The IUPAC name of (Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide (CID 90246005) is (Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide.
What is the SMILES notation for (Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide?
The canonical SMILES for (Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide is C=N/C=C\C(C)C(=O)NCCCN(C)CC.
What is the InChIKey of (Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide?
The InChIKey is GOYPZBGYIQVFLQ-CLFYSBASSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-15(4)10-6-8-14-12(16)11(2)7-9-13-3/h7,9,11H,3,5-6,8,10H2,1-2,4H3,(H,14,16)/b9-7-.
What are the key properties of (Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide?
(Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide has a molecular weight of 225.34 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide is sourced from PubChem (CID 90246005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).