N-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide

C18H30N4 — CID 142909327

IUPACN-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide
SMILESCCC(/N=C(\N)CC1/C=C\C/C=C\CC1)=N\C1CCNCC1
InChIInChI=1S/C18H30N4/c1-2-18(21-16-10-12-20-13-11-16)22-17(19)14-15-8-6-4-3-5-7-9-15/h3-4,7,9,15-16,20H,2,5-6,8,10-14H2,1H3,(H2,19,21,22)/b4-3-,9-7-
InChIKeyZFZXRIKPRYEDRW-DDYVKQNKSA-N
MW302.47 g/mol
LogP3.21
Rot. Bonds4

About N-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide

N-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide (PubChem CID 142909327) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide.

Molecular Properties

Compound NameN-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide
PubChem CID142909327
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC NameN-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide
SMILESCCC(/N=C(\N)CC1/C=C\C/C=C\CC1)=N\C1CCNCC1
InChIInChI=1S/C18H30N4/c1-2-18(21-16-10-12-20-13-11-16)22-17(19)14-15-8-6-4-3-5-7-9-15/h3-4,7,9,15-16,20H,2,5-6,8,10-14H2,1H3,(H2,19,21,22)/b4-3-,9-7-
InChIKeyZFZXRIKPRYEDRW-DDYVKQNKSA-N
XLogP3.21
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.21
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'-[C-(cyclohepta-1,3,6-trien-1-ylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide
CID 142909241
(4Z)-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)octa-4,7-dienimidamide
CID 142909332
N'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide
CID 142909601
N-[1-amino-2-[1-ethenyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethylidene]-N'-piperidin-4-ylpropanimidamide
CID 142909876
3-cyclohepta-1,3,6-trien-1-yl-N'-(C-ethyl-N-piperidin-4-ylcarbonimidoyl)propanimidamide
CID 142910010
N-[1-amino-2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethylidene]-N'-piperidin-4-ylpropanimidamide
CID 142910634
(6S)-5-ethyl-6-methyl-2-[(2E,4R)-4-methylhepta-2,6-dienyl]-1,4,5,6-tetrahydropyrimidine
CID 174363724

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide?
The IUPAC name of N-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide (CID 142909327) is N-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide.
What is the SMILES notation for N-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide?
The canonical SMILES for N-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide is CCC(/N=C(\N)CC1/C=C\C/C=C\CC1)=N\C1CCNCC1.
What is the InChIKey of N-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide?
The InChIKey is ZFZXRIKPRYEDRW-DDYVKQNKSA-N. The full InChI is InChI=1S/C18H30N4/c1-2-18(21-16-10-12-20-13-11-16)22-17(19)14-15-8-6-4-3-5-7-9-15/h3-4,7,9,15-16,20H,2,5-6,8,10-14H2,1H3,(H2,19,21,22)/b4-3-,9-7-.
What are the key properties of N-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide?
N-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide has a molecular weight of 302.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]ethylidene]-N'-piperidin-4-ylpropanimidamide is sourced from PubChem (CID 142909327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).