4-cyclohexa-1,3-dien-1-yl-N'-methylcyclohexa-1,3-diene-1-carboximidamide

C14H18N2 — CID 142353032

IUPAC4-cyclohexa-1,3-dien-1-yl-N'-methylcyclohexa-1,3-diene-1-carboximidamide
SMILESC/N=C(\N)C1=CC=C(C2=CC=CCC2)CC1
InChIInChI=1S/C14H18N2/c1-16-14(15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-3,5,7,9H,4,6,8,10H2,1H3,(H2,15,16)
InChIKeyROOSXXKOLUIISA-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.90
Rot. Bonds2

About 4-cyclohexa-1,3-dien-1-yl-N'-methylcyclohexa-1,3-diene-1-carboximidamide

4-cyclohexa-1,3-dien-1-yl-N'-methylcyclohexa-1,3-diene-1-carboximidamide (PubChem CID 142353032) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-N'-methylcyclohexa-1,3-diene-1-carboximidamide.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-N'-methylcyclohexa-1,3-diene-1-carboximidamide
PubChem CID142353032
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-cyclohexa-1,3-dien-1-yl-N'-methylcyclohexa-1,3-diene-1-carboximidamide
SMILESC/N=C(\N)C1=CC=C(C2=CC=CCC2)CC1
InChIInChI=1S/C14H18N2/c1-16-14(15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-3,5,7,9H,4,6,8,10H2,1H3,(H2,15,16)
InChIKeyROOSXXKOLUIISA-UHFFFAOYSA-N
XLogP2.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yl-N'-methylcyclohexa-1,3-diene-1-carboximidamide?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-N'-methylcyclohexa-1,3-diene-1-carboximidamide (CID 142353032) is 4-cyclohexa-1,3-dien-1-yl-N'-methylcyclohexa-1,3-diene-1-carboximidamide.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-N'-methylcyclohexa-1,3-diene-1-carboximidamide?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-N'-methylcyclohexa-1,3-diene-1-carboximidamide is C/N=C(\N)C1=CC=C(C2=CC=CCC2)CC1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-N'-methylcyclohexa-1,3-diene-1-carboximidamide?
The InChIKey is ROOSXXKOLUIISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-16-14(15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-3,5,7,9H,4,6,8,10H2,1H3,(H2,15,16).
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-N'-methylcyclohexa-1,3-diene-1-carboximidamide?
4-cyclohexa-1,3-dien-1-yl-N'-methylcyclohexa-1,3-diene-1-carboximidamide has a molecular weight of 214.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yl-N'-methylcyclohexa-1,3-diene-1-carboximidamide is sourced from PubChem (CID 142353032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).