(4Z)-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)octa-4,7-dienimidamide

C16H28N4 — CID 142909332

IUPAC(4Z)-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)octa-4,7-dienimidamide
SMILESC=CC/C=C\CC/C(N)=N\C(CC)=N\C1CCNCC1
InChIInChI=1S/C16H28N4/c1-3-5-6-7-8-9-15(17)20-16(4-2)19-14-10-12-18-13-11-14/h3,6-7,14,18H,1,4-5,8-13H2,2H3,(H2,17,19,20)/b7-6-
InChIKeyDKUDTPNZFBYIDO-SREVYHEPSA-N
MW276.43 g/mol
LogP2.82
Rot. Bonds7

About (4Z)-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)octa-4,7-dienimidamide

(4Z)-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)octa-4,7-dienimidamide (PubChem CID 142909332) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is (4Z)-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)octa-4,7-dienimidamide.

Molecular Properties

Compound Name(4Z)-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)octa-4,7-dienimidamide
PubChem CID142909332
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name(4Z)-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)octa-4,7-dienimidamide
SMILESC=CC/C=C\CC/C(N)=N\C(CC)=N\C1CCNCC1
InChIInChI=1S/C16H28N4/c1-3-5-6-7-8-9-15(17)20-16(4-2)19-14-10-12-18-13-11-14/h3,6-7,14,18H,1,4-5,8-13H2,2H3,(H2,17,19,20)/b7-6-
InChIKeyDKUDTPNZFBYIDO-SREVYHEPSA-N
XLogP2.82
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide
CID 142909327
N'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide
CID 142909601
3-cyclohepta-1,3,6-trien-1-yl-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)propanimidamide
CID 142910010
3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide
CID 167079852
N-cyclopent-3-en-1-yl-2,3,4,5-tetrahydropyridin-6-amine
CID 116112219

Frequently Asked Questions

What is the IUPAC name of (4Z)-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)octa-4,7-dienimidamide?
The IUPAC name of (4Z)-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)octa-4,7-dienimidamide (CID 142909332) is (4Z)-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)octa-4,7-dienimidamide.
What is the SMILES notation for (4Z)-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)octa-4,7-dienimidamide?
The canonical SMILES for (4Z)-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)octa-4,7-dienimidamide is C=CC/C=C\CC/C(N)=N\C(CC)=N\C1CCNCC1.
What is the InChIKey of (4Z)-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)octa-4,7-dienimidamide?
The InChIKey is DKUDTPNZFBYIDO-SREVYHEPSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-5-6-7-8-9-15(17)20-16(4-2)19-14-10-12-18-13-11-14/h3,6-7,14,18H,1,4-5,8-13H2,2H3,(H2,17,19,20)/b7-6-.
What are the key properties of (4Z)-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)octa-4,7-dienimidamide?
(4Z)-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)octa-4,7-dienimidamide has a molecular weight of 276.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)octa-4,7-dienimidamide is sourced from PubChem (CID 142909332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).