N'-cyclohexa-2,4-dien-1-ylethanimidamide

C8H12N2 — CID 150911079

IUPACN'-cyclohexa-2,4-dien-1-ylethanimidamide
SMILESC/C(N)=N\C1C=CC=CC1
InChIInChI=1S/C8H12N2/c1-7(9)10-8-5-3-2-4-6-8/h2-5,8H,6H2,1H3,(H2,9,10)
InChIKeyLBZVNHQBCMQBEY-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.25
Rot. Bonds1

About N'-cyclohexa-2,4-dien-1-ylethanimidamide

N'-cyclohexa-2,4-dien-1-ylethanimidamide (PubChem CID 150911079) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N'-cyclohexa-2,4-dien-1-ylethanimidamide.

Molecular Properties

Compound NameN'-cyclohexa-2,4-dien-1-ylethanimidamide
PubChem CID150911079
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN'-cyclohexa-2,4-dien-1-ylethanimidamide
SMILESC/C(N)=N\C1C=CC=CC1
InChIInChI=1S/C8H12N2/c1-7(9)10-8-5-3-2-4-6-8/h2-5,8H,6H2,1H3,(H2,9,10)
InChIKeyLBZVNHQBCMQBEY-UHFFFAOYSA-N
XLogP1.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.25
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

2-Methyl-2,3-dihydropyridin-6-amine
CID 89001586
7-Methyl-6,7-dihydro-1,8-naphthyridin-2-amine
CID 89038587
7aH-indol-2-amine
CID 89673272
N'-cyclohexa-2,4-dien-1-yl-N-ethenylethanimidamide
CID 91616301
4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine
CID 123186985
2-(4-Methylcyclohexa-2,4-dien-1-yl)guanidine
CID 123579693
2-Cyclohexa-2,4-dien-1-yl-1-ethylideneguanidine
CID 123932039
(2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide
CID 130224282
ethane;N'-[(E)-hex-3-en-2-yl]ethanimidamide
CID 141872709
2-Methyl-2,5-dihydropyridin-6-amine
CID 141873465
N'-[(Z)-5,5-dimethylhex-3-en-2-yl]ethanimidamide;prop-1-ene
CID 143582585
(2E,6Z,8E)-N'-(2-methylpropyl)deca-2,6,8-trienimidamide
CID 143753026

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexa-2,4-dien-1-ylethanimidamide?
The IUPAC name of N'-cyclohexa-2,4-dien-1-ylethanimidamide (CID 150911079) is N'-cyclohexa-2,4-dien-1-ylethanimidamide.
What is the SMILES notation for N'-cyclohexa-2,4-dien-1-ylethanimidamide?
The canonical SMILES for N'-cyclohexa-2,4-dien-1-ylethanimidamide is C/C(N)=N\C1C=CC=CC1.
What is the InChIKey of N'-cyclohexa-2,4-dien-1-ylethanimidamide?
The InChIKey is LBZVNHQBCMQBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7(9)10-8-5-3-2-4-6-8/h2-5,8H,6H2,1H3,(H2,9,10).
What are the key properties of N'-cyclohexa-2,4-dien-1-ylethanimidamide?
N'-cyclohexa-2,4-dien-1-ylethanimidamide has a molecular weight of 136.20 g/mol, XLogP of 1.25, 1 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-ylethanimidamide is sourced from PubChem (CID 150911079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).