N'-[C-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide

C17H26N4 — CID 142910844

IUPACN'-[C-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide
SMILESCC/N=C(CC1=CC=CC2CC12)\N=C(/N)C1CCNCC1
InChIInChI=1S/C17H26N4/c1-2-20-16(11-14-5-3-4-13-10-15(13)14)21-17(18)12-6-8-19-9-7-12/h3-5,12-13,15,19H,2,6-11H2,1H3,(H2,18,20,21)
InChIKeyTURVCACHBRIDRM-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.28
Rot. Bonds4

About N'-[C-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide

N'-[C-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide (PubChem CID 142910844) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N'-[C-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-[C-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide
PubChem CID142910844
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN'-[C-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide
SMILESCC/N=C(CC1=CC=CC2CC12)\N=C(/N)C1CCNCC1
InChIInChI=1S/C17H26N4/c1-2-20-16(11-14-5-3-4-13-10-15(13)14)21-17(18)12-6-8-19-9-7-12/h3-5,12-13,15,19H,2,6-11H2,1H3,(H2,18,20,21)
InChIKeyTURVCACHBRIDRM-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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'-[C-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide?
The IUPAC name of N'-[C-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide (CID 142910844) is N'-[C-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide.
What is the SMILES notation for N'-[C-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide?
The canonical SMILES for N'-[C-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide is CC/N=C(CC1=CC=CC2CC12)\N=C(/N)C1CCNCC1.
What is the InChIKey of N'-[C-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide?
The InChIKey is TURVCACHBRIDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-20-16(11-14-5-3-4-13-10-15(13)14)21-17(18)12-6-8-19-9-7-12/h3-5,12-13,15,19H,2,6-11H2,1H3,(H2,18,20,21).
What are the key properties of N'-[C-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide?
N'-[C-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide has a molecular weight of 286.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[C-(2-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-N-ethylcarbonimidoyl]piperidine-4-carboximidamide is sourced from PubChem (CID 142910844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).