N-[1-amino-2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethylidene]-N'-piperidin-4-ylpropanimidamide

C17H26N4 — CID 142910634

IUPACN-[1-amino-2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethylidene]-N'-piperidin-4-ylpropanimidamide
SMILESCCC(/N=C(\N)CC12C=CC=CC1C2)=N\C1CCNCC1
InChIInChI=1S/C17H26N4/c1-2-16(20-14-6-9-19-10-7-14)21-15(18)12-17-8-4-3-5-13(17)11-17/h3-5,8,13-14,19H,2,6-7,9-12H2,1H3,(H2,18,20,21)
InChIKeyXHFUDCIFZGIEHU-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.43
Rot. Bonds4

About N-[1-amino-2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethylidene]-N'-piperidin-4-ylpropanimidamide

N-[1-amino-2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethylidene]-N'-piperidin-4-ylpropanimidamide (PubChem CID 142910634) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[1-amino-2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethylidene]-N'-piperidin-4-ylpropanimidamide.

Molecular Properties

Compound NameN-[1-amino-2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethylidene]-N'-piperidin-4-ylpropanimidamide
PubChem CID142910634
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[1-amino-2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethylidene]-N'-piperidin-4-ylpropanimidamide
SMILESCCC(/N=C(\N)CC12C=CC=CC1C2)=N\C1CCNCC1
InChIInChI=1S/C17H26N4/c1-2-16(20-14-6-9-19-10-7-14)21-15(18)12-17-8-4-3-5-13(17)11-17/h3-5,8,13-14,19H,2,6-7,9-12H2,1H3,(H2,18,20,21)
InChIKeyXHFUDCIFZGIEHU-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of N-[1-amino-2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethylidene]-N'-piperidin-4-ylpropanimidamide?
The IUPAC name of N-[1-amino-2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethylidene]-N'-piperidin-4-ylpropanimidamide (CID 142910634) is N-[1-amino-2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethylidene]-N'-piperidin-4-ylpropanimidamide.
What is the SMILES notation for N-[1-amino-2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethylidene]-N'-piperidin-4-ylpropanimidamide?
The canonical SMILES for N-[1-amino-2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethylidene]-N'-piperidin-4-ylpropanimidamide is CCC(/N=C(\N)CC12C=CC=CC1C2)=N\C1CCNCC1.
What is the InChIKey of N-[1-amino-2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethylidene]-N'-piperidin-4-ylpropanimidamide?
The InChIKey is XHFUDCIFZGIEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-16(20-14-6-9-19-10-7-14)21-15(18)12-17-8-4-3-5-13(17)11-17/h3-5,8,13-14,19H,2,6-7,9-12H2,1H3,(H2,18,20,21).
What are the key properties of N-[1-amino-2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethylidene]-N'-piperidin-4-ylpropanimidamide?
N-[1-amino-2-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethylidene]-N'-piperidin-4-ylpropanimidamide has a molecular weight of 286.42 g/mol, XLogP of 2.43, 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-(1-bicyclo[4.1.0]hepta-2,4-dienyl)ethylidene]-N'-piperidin-4-ylpropanimidamide is sourced from PubChem (CID 142910634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).