N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide

C14H22N2 — CID 70875583

IUPACN-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide
SMILESC/C=C\CCC/N=C(\C)NC1=CC=CCC1
InChIInChI=1S/C14H22N2/c1-3-4-5-9-12-15-13(2)16-14-10-7-6-8-11-14/h3-4,6-7,10H,5,8-9,11-12H2,1-2H3,(H,15,16)/b4-3-
InChIKeyCLVMDWNASGCSLY-ARJAWSKDSA-N
MW218.34 g/mol
LogP3.58
Rot. Bonds5

About N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide

N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide (PubChem CID 70875583) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide
PubChem CID70875583
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide
SMILESC/C=C\CCC/N=C(\C)NC1=CC=CCC1
InChIInChI=1S/C14H22N2/c1-3-4-5-9-12-15-13(2)16-14-10-7-6-8-11-14/h3-4,6-7,10H,5,8-9,11-12H2,1-2H3,(H,15,16)/b4-3-
InChIKeyCLVMDWNASGCSLY-ARJAWSKDSA-N
XLogP3.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide (CID 70875583) is N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide is C/C=C\CCC/N=C(\C)NC1=CC=CCC1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide?
The InChIKey is CLVMDWNASGCSLY-ARJAWSKDSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-4-5-9-12-15-13(2)16-14-10-7-6-8-11-14/h3-4,6-7,10H,5,8-9,11-12H2,1-2H3,(H,15,16)/b4-3-.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide?
N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide has a molecular weight of 218.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide is sourced from PubChem (CID 70875583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).