N-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide

C14H20N2 — CID 70875519

IUPACN-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide
SMILESC/C(=N\C1CC=CCC1)NC1=CC=CCC1
InChIInChI=1S/C14H20N2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-4,6,8,14H,5,7,9-11H2,1H3,(H,15,16)
InChIKeyAIAYDZBZCNECIK-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.34
Rot. Bonds2

About N-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide

N-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide (PubChem CID 70875519) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide
PubChem CID70875519
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide
SMILESC/C(=N\C1CC=CCC1)NC1=CC=CCC1
InChIInChI=1S/C14H20N2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-4,6,8,14H,5,7,9-11H2,1H3,(H,15,16)
InChIKeyAIAYDZBZCNECIK-UHFFFAOYSA-N
XLogP3.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-methyl-3a,4-dihydro-1H-benzimidazole
CID 19090012
N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide
CID 70875583
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
6-Buta-1,3-dienyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 123490451
2-methyl-8-methylidene-7-nona-3,6,8-trienyl-4-propyl-4,5-dihydro-1H-1,3-diazocine
CID 123682734
N-cyclohexa-1,5-dien-1-yl-4,6-dimethyl-4,5-dihydropyrimidin-2-amine
CID 134560867
N-ethyl-3,4,5,6-tetrahydro-1H-quinolin-2-imine
CID 141844245
N-cyclohexa-1,3-dien-1-yl-N'-methylethanimidamide
CID 141893272
N-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine
CID 145232194
ethene;2-methyl-4-methylidene-5,6-dihydro-3H-quinazoline;prop-1-ene
CID 145693896
5-but-3-enyl-2,4-dimethyl-6-methylidene-1H-pyrimidine
CID 155243022

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide (CID 70875519) is N-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide is C/C(=N\C1CC=CCC1)NC1=CC=CCC1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide?
The InChIKey is AIAYDZBZCNECIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-4,6,8,14H,5,7,9-11H2,1H3,(H,15,16).
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide?
N-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide has a molecular weight of 216.33 g/mol, XLogP of 3.34, 2 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'-cyclohex-3-en-1-ylethanimidamide is sourced from PubChem (CID 70875519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).