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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3a,4-dihydro-1H-benzimidazole
CID 19090012
N'-cyclohexa-1,3-dien-1-ylethanimidamide
CID 68215787
N-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide
CID 70875519
6-But-1-enyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 91498996
4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine
CID 123186985
Ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium
CID 123212275
8-Methyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraene
CID 123430510
6-Buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 123490451
(2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide
CID 129169649
(4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine
CID 129208626
N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide
CID 130179060
N-[(Z)-hept-3-en-3-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 132001887

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).