N'-ethyl-N-[(3Z)-4-[ethyl(methyl)amino]buta-1,3-dien-2-yl]propanimidamide

C12H23N3 — CID 146892293

IUPACN'-ethyl-N-[(3Z)-4-[ethyl(methyl)amino]buta-1,3-dien-2-yl]propanimidamide
SMILESC=C(/C=C\N(C)CC)N/C(CC)=N/CC
InChIInChI=1S/C12H23N3/c1-6-12(13-7-2)14-11(4)9-10-15(5)8-3/h9-10H,4,6-8H2,1-3,5H3,(H,13,14)/b10-9-
InChIKeyTUFJPHUZWALWGI-KTKRTIGZSA-N
MW209.34 g/mol
LogP2.38
Rot. Bonds6

About N'-ethyl-N-[(3Z)-4-[ethyl(methyl)amino]buta-1,3-dien-2-yl]propanimidamide

N'-ethyl-N-[(3Z)-4-[ethyl(methyl)amino]buta-1,3-dien-2-yl]propanimidamide (PubChem CID 146892293) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N'-ethyl-N-[(3Z)-4-[ethyl(methyl)amino]buta-1,3-dien-2-yl]propanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-[(3Z)-4-[ethyl(methyl)amino]buta-1,3-dien-2-yl]propanimidamide
PubChem CID146892293
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN'-ethyl-N-[(3Z)-4-[ethyl(methyl)amino]buta-1,3-dien-2-yl]propanimidamide
SMILESC=C(/C=C\N(C)CC)N/C(CC)=N/CC
InChIInChI=1S/C12H23N3/c1-6-12(13-7-2)14-11(4)9-10-15(5)8-3/h9-10H,4,6-8H2,1-3,5H3,(H,13,14)/b10-9-
InChIKeyTUFJPHUZWALWGI-KTKRTIGZSA-N
XLogP2.38
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[(3Z)-4-[ethyl(methyl)amino]buta-1,3-dien-2-yl]propanimidamide?
The IUPAC name of N'-ethyl-N-[(3Z)-4-[ethyl(methyl)amino]buta-1,3-dien-2-yl]propanimidamide (CID 146892293) is N'-ethyl-N-[(3Z)-4-[ethyl(methyl)amino]buta-1,3-dien-2-yl]propanimidamide.
What is the SMILES notation for N'-ethyl-N-[(3Z)-4-[ethyl(methyl)amino]buta-1,3-dien-2-yl]propanimidamide?
The canonical SMILES for N'-ethyl-N-[(3Z)-4-[ethyl(methyl)amino]buta-1,3-dien-2-yl]propanimidamide is C=C(/C=C\N(C)CC)N/C(CC)=N/CC.
What is the InChIKey of N'-ethyl-N-[(3Z)-4-[ethyl(methyl)amino]buta-1,3-dien-2-yl]propanimidamide?
The InChIKey is TUFJPHUZWALWGI-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-12(13-7-2)14-11(4)9-10-15(5)8-3/h9-10H,4,6-8H2,1-3,5H3,(H,13,14)/b10-9-.
What are the key properties of N'-ethyl-N-[(3Z)-4-[ethyl(methyl)amino]buta-1,3-dien-2-yl]propanimidamide?
N'-ethyl-N-[(3Z)-4-[ethyl(methyl)amino]buta-1,3-dien-2-yl]propanimidamide has a molecular weight of 209.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(3Z)-4-[ethyl(methyl)amino]buta-1,3-dien-2-yl]propanimidamide is sourced from PubChem (CID 146892293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).