N'-[(2E)-3-ethyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethanimidamide

C12H20N2 — CID 147012941

IUPACN'-[(2E)-3-ethyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethanimidamide
SMILESC=C/C(CC)=C(\C=C/C)C/N=C(\C)N
InChIInChI=1S/C12H20N2/c1-5-8-12(9-14-10(4)13)11(6-2)7-3/h5-6,8H,2,7,9H2,1,3-4H3,(H2,13,14)/b8-5-,12-11-
InChIKeyAUFLRXQAEYHQEJ-RVLDWYSYSA-N
MW192.31 g/mol
LogP2.83
Rot. Bonds5

About N'-[(2E)-3-ethyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethanimidamide

N'-[(2E)-3-ethyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethanimidamide (PubChem CID 147012941) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N'-[(2E)-3-ethyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(2E)-3-ethyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethanimidamide
PubChem CID147012941
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN'-[(2E)-3-ethyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethanimidamide
SMILESC=C/C(CC)=C(\C=C/C)C/N=C(\C)N
InChIInChI=1S/C12H20N2/c1-5-8-12(9-14-10(4)13)11(6-2)7-3/h5-6,8H,2,7,9H2,1,3-4H3,(H2,13,14)/b8-5-,12-11-
InChIKeyAUFLRXQAEYHQEJ-RVLDWYSYSA-N
XLogP2.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-[(2E)-3-ethyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethanimidamide?
The IUPAC name of N'-[(2E)-3-ethyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethanimidamide (CID 147012941) is N'-[(2E)-3-ethyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(2E)-3-ethyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethanimidamide?
The canonical SMILES for N'-[(2E)-3-ethyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethanimidamide is C=C/C(CC)=C(\C=C/C)C/N=C(\C)N.
What is the InChIKey of N'-[(2E)-3-ethyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethanimidamide?
The InChIKey is AUFLRXQAEYHQEJ-RVLDWYSYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-8-12(9-14-10(4)13)11(6-2)7-3/h5-6,8H,2,7,9H2,1,3-4H3,(H2,13,14)/b8-5-,12-11-.
What are the key properties of N'-[(2E)-3-ethyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethanimidamide?
N'-[(2E)-3-ethyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethanimidamide has a molecular weight of 192.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E)-3-ethyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethanimidamide is sourced from PubChem (CID 147012941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).