N'-(1-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,3-diene-1-carboximidamide

C15H20N2 — CID 163899394

IUPACN'-(1-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,3-diene-1-carboximidamide
SMILESCC(/N=C(\N)C1=CC=CCC1)C1=CC=CCC1
InChIInChI=1S/C15H20N2/c1-12(13-8-4-2-5-9-13)17-15(16)14-10-6-3-7-11-14/h2-4,6,8,10,12H,5,7,9,11H2,1H3,(H2,16,17)
InChIKeyQIMKHLNCLQRHHS-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.28
Rot. Bonds3

About N'-(1-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,3-diene-1-carboximidamide

N'-(1-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,3-diene-1-carboximidamide (PubChem CID 163899394) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N'-(1-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,3-diene-1-carboximidamide.

Molecular Properties

Compound NameN'-(1-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,3-diene-1-carboximidamide
PubChem CID163899394
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN'-(1-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,3-diene-1-carboximidamide
SMILESCC(/N=C(\N)C1=CC=CCC1)C1=CC=CCC1
InChIInChI=1S/C15H20N2/c1-12(13-8-4-2-5-9-13)17-15(16)14-10-6-3-7-11-14/h2-4,6,8,10,12H,5,7,9,11H2,1H3,(H2,16,17)
InChIKeyQIMKHLNCLQRHHS-UHFFFAOYSA-N
XLogP3.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.28
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'}

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Related Compounds

6-Allyl-4-methyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine
CID 44313353
2-(6,7,8,8a-Tetrahydroquinolin-2-yl)guanidine
CID 69425172
7-Methyl-6,7-dihydro-1,8-naphthyridin-2-amine
CID 89038587
3,4-Di(ethylidene)-5-methylpyridin-2-amine
CID 90910641
N'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide
CID 118363268
(6Z)-5-[(5Z)-5,7-dimethylocta-3,5,7-trien-4-yl]-6-(2-methylbut-2-enylidene)-2,3-dihydroazepin-7-amine
CID 123413789
4-[3-(4-aminopentyl)-6,7-dimethylcyclohepta-1,3,6-trien-1-yl]-N',3-dimethyl-2-propylidenehex-3-enimidamide
CID 123659886
(2E,4Z)-3-ethyl-N',4-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide
CID 132236435
N'-methylcyclohexa-1,3-diene-1-carboximidamide
CID 137386436
(5Z)-5-propylidene-3,4-dihydro-2H-pyridin-6-amine
CID 139453375
4-N,4-N-dimethyl-8,8a-dihydroquinazoline-2,4-diamine
CID 142229046
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 142244110

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,3-diene-1-carboximidamide?
The IUPAC name of N'-(1-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,3-diene-1-carboximidamide (CID 163899394) is N'-(1-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,3-diene-1-carboximidamide.
What is the SMILES notation for N'-(1-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,3-diene-1-carboximidamide?
The canonical SMILES for N'-(1-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,3-diene-1-carboximidamide is CC(/N=C(\N)C1=CC=CCC1)C1=CC=CCC1.
What is the InChIKey of N'-(1-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,3-diene-1-carboximidamide?
The InChIKey is QIMKHLNCLQRHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12(13-8-4-2-5-9-13)17-15(16)14-10-6-3-7-11-14/h2-4,6,8,10,12H,5,7,9,11H2,1H3,(H2,16,17).
What are the key properties of N'-(1-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,3-diene-1-carboximidamide?
N'-(1-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,3-diene-1-carboximidamide has a molecular weight of 228.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclohexa-1,3-dien-1-ylethyl)cyclohexa-1,3-diene-1-carboximidamide is sourced from PubChem (CID 163899394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).