N'-[C-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide

C17H26N4 — CID 142909241

IUPACN'-[C-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide
SMILESCC/N=C(CC1=CC=CCC=C1)\N=C(/N)C1CCNCC1
InChIInChI=1S/C17H26N4/c1-2-20-16(13-14-7-5-3-4-6-8-14)21-17(18)15-9-11-19-12-10-15/h3,5-8,15,19H,2,4,9-13H2,1H3,(H2,18,20,21)
InChIKeyHLQOKTFPYIPROY-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.59
Rot. Bonds4

About N'-[C-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide

N'-[C-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide (PubChem CID 142909241) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N'-[C-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-[C-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide
PubChem CID142909241
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN'-[C-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide
SMILESCC/N=C(CC1=CC=CCC=C1)\N=C(/N)C1CCNCC1
InChIInChI=1S/C17H26N4/c1-2-20-16(13-14-7-5-3-4-6-8-14)21-17(18)15-9-11-19-12-10-15/h3,5-8,15,19H,2,4,9-13H2,1H3,(H2,18,20,21)
InChIKeyHLQOKTFPYIPROY-UHFFFAOYSA-N
XLogP2.59
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.59
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'}

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Related Compounds

N,N-diethyl-5-(piperidin-4-yl)-3H-azepin-2-amine
CID 172418747
(3Z)-2-methylimino-N'-[(Z)-1-piperidin-4-ylethylideneamino]hepta-3,5,6-trienimidamide
CID 90726729
N-ethenyl-N',6,7-trimethyl-5-[1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethyl]cyclohepta-1,3,5-triene-1-carboximidamide
CID 123666018
N-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide
CID 142909327
ethane;N'-[ethyl(methyl)amino]-N-methylidenepiperidine-4-carboximidamide;(2Z,4Z)-octa-2,4-diene
CID 142909505
N'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide
CID 142909601
but-1-ene;N'-(ethyliminomethyl)piperidine-4-carboximidamide;3-methylidenepent-1-ene
CID 142909849
3-cyclohepta-1,3,6-trien-1-yl-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)propanimidamide
CID 142910010
N'-[C-[2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethyl]-N-ethylcarbonimidoyl]piperidine-4-carboximidamide
CID 142910586
N'-[C-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide
CID 142910844
(E)-N'-[(2R)-2,3-dimethylbut-3-enyl]-2-methyl-3-[4-[(3Z)-4-(6-methyl-1,2,3,4-tetrahydropyridin-5-yl)buta-1,3-dien-2-yl]piperidin-1-yl]but-2-enimidamide
CID 146424405

Frequently Asked Questions

What is the IUPAC name of N'-[C-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide?
The IUPAC name of N'-[C-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide (CID 142909241) is N'-[C-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide.
What is the SMILES notation for N'-[C-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide?
The canonical SMILES for N'-[C-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide is CC/N=C(CC1=CC=CCC=C1)\N=C(/N)C1CCNCC1.
What is the InChIKey of N'-[C-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide?
The InChIKey is HLQOKTFPYIPROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-20-16(13-14-7-5-3-4-6-8-14)21-17(18)15-9-11-19-12-10-15/h3,5-8,15,19H,2,4,9-13H2,1H3,(H2,18,20,21).
What are the key properties of N'-[C-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide?
N'-[C-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide has a molecular weight of 286.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[C-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide is sourced from PubChem (CID 142909241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).