N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide

C10H14N2 — CID 91616301

IUPACN'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide
SMILESC=CN/C(C)=N/C1C=CC=CC1
InChIInChI=1S/C10H14N2/c1-3-11-9(2)12-10-7-5-4-6-8-10/h3-7,10H,1,8H2,2H3,(H,11,12)
InChIKeyRTZYHSISHGDRPL-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.02
Rot. Bonds2

About N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide

N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide (PubChem CID 91616301) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide.

Molecular Properties

Compound NameN'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide
PubChem CID91616301
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide
SMILESC=CN/C(C)=N/C1C=CC=CC1
InChIInChI=1S/C10H14N2/c1-3-11-9(2)12-10-7-5-4-6-8-10/h3-7,10H,1,8H2,2H3,(H,11,12)
InChIKeyRTZYHSISHGDRPL-UHFFFAOYSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.02
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

N-[(1Z,3Z)-3-(1-amino-1-fluoroethyl)hepta-1,3-dienyl]-N'-methylethanimidamide
CID 177357033
2,4-Dimethyl-1,4-dihydropyrimidine
CID 89750388
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
5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine
CID 123831511
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,4-dihydropyrimidine
CID 124198945
(Z)-N-[(1E)-buta-1,3-dienyl]-N'-methyl-5-(methylamino)hex-2-enimidamide
CID 129302968
2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dihydropyridine
CID 129304100
N-ethenyl-N'-[(1Z,3E)-2-ethyl-3-methylhexa-1,3,5-trienyl]ethanimidamide
CID 132170857
N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide
CID 134214435
(Z)-3-amino-3-(2-methylidene-1H-pyridin-4-yl)-N'-pentan-3-ylprop-2-enimidamide
CID 134502442

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide?
The IUPAC name of N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide (CID 91616301) is N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide.
What is the SMILES notation for N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide?
The canonical SMILES for N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide is C=CN/C(C)=N/C1C=CC=CC1.
What is the InChIKey of N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide?
The InChIKey is RTZYHSISHGDRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-11-9(2)12-10-7-5-4-6-8-10/h3-7,10H,1,8H2,2H3,(H,11,12).
What are the key properties of N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide?
N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide has a molecular weight of 162.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide is sourced from PubChem (CID 91616301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).