N-ethyl-N'-methylcyclohexa-2,4-diene-1-carboximidamide

C10H16N2 — CID 163742484

IUPACN-ethyl-N'-methylcyclohexa-2,4-diene-1-carboximidamide
SMILESCCN/C(=N\C)C1C=CC=CC1
InChIInChI=1S/C10H16N2/c1-3-12-10(11-2)9-7-5-4-6-8-9/h4-7,9H,3,8H2,1-2H3,(H,11,12)
InChIKeyLIZPTLFFUJDYOL-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.76
Rot. Bonds2

About N-ethyl-N'-methylcyclohexa-2,4-diene-1-carboximidamide

N-ethyl-N'-methylcyclohexa-2,4-diene-1-carboximidamide (PubChem CID 163742484) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-ethyl-N'-methylcyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-methylcyclohexa-2,4-diene-1-carboximidamide
PubChem CID163742484
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-ethyl-N'-methylcyclohexa-2,4-diene-1-carboximidamide
SMILESCCN/C(=N\C)C1C=CC=CC1
InChIInChI=1S/C10H16N2/c1-3-12-10(11-2)9-7-5-4-6-8-9/h4-7,9H,3,8H2,1-2H3,(H,11,12)
InChIKeyLIZPTLFFUJDYOL-UHFFFAOYSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.76
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'}

Analyze N-ethyl-N'-methylcyclohexa-2,4-diene-1-carboximidamide 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-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole
CID 101024438
N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
3-(4,5-dihydro-1H-imidazol-2-yl)non-4-en-1-amine
CID 70518344
2-[4-(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine
CID 70920193
(3E,5Z)-N-ethyl-N',3,6,7-tetramethylocta-3,5,7-trienimidamide
CID 89311716
(Z)-N'-methyl-N-(1,2,3,6-tetrahydropyridin-2-yl)hex-4-enimidamide
CID 89493049
N'-methyl-N-(3-methylhex-3-enyl)propanimidamide
CID 91334191
2-[(5Z,7Z)-2-[(3Z)-penta-1,3-dien-2-yl]-4,9-dihydro-1H-1,3-diazonin-5-yl]prop-2-en-1-amine
CID 118186576
6-cyclohexa-2,4-dien-1-yl-N,N,4-trimethyl-1,4-dihydro-1,3,5-triazin-2-amine
CID 118857531
2-(2-cyclohexa-2,4-dien-1-ylethyl)-4,5-dihydro-1H-imidazole
CID 121450551
2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine
CID 122600421
N-cyclohepta-2,4-dien-1-yl-N'-methylpropanimidamide
CID 123274400

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methylcyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of N-ethyl-N'-methylcyclohexa-2,4-diene-1-carboximidamide (CID 163742484) is N-ethyl-N'-methylcyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-methylcyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-methylcyclohexa-2,4-diene-1-carboximidamide is CCN/C(=N\C)C1C=CC=CC1.
What is the InChIKey of N-ethyl-N'-methylcyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is LIZPTLFFUJDYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-12-10(11-2)9-7-5-4-6-8-9/h4-7,9H,3,8H2,1-2H3,(H,11,12).
What are the key properties of N-ethyl-N'-methylcyclohexa-2,4-diene-1-carboximidamide?
N-ethyl-N'-methylcyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 164.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methylcyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 163742484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).