4-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-diene-1-carboximidamide

C14H18N2 — CID 146521452

IUPAC4-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1C=CC(C2C=CC(C)=CC2)=CC1
InChIInChI=1S/C14H18N2/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16/h2-4,6-8,11,13H,5,9H2,1H3,(H3,15,16)
InChIKeyCWQHBSYMNBCGMS-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.95
Rot. Bonds2

About 4-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-diene-1-carboximidamide

4-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-diene-1-carboximidamide (PubChem CID 146521452) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound Name4-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-diene-1-carboximidamide
PubChem CID146521452
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1C=CC(C2C=CC(C)=CC2)=CC1
InChIInChI=1S/C14H18N2/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16/h2-4,6-8,11,13H,5,9H2,1H3,(H3,15,16)
InChIKeyCWQHBSYMNBCGMS-UHFFFAOYSA-N
XLogP2.95
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
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-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of 4-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-diene-1-carboximidamide (CID 146521452) is 4-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for 4-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for 4-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-diene-1-carboximidamide is [H]/N=C(\N)C1C=CC(C2C=CC(C)=CC2)=CC1.
What is the InChIKey of 4-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is CWQHBSYMNBCGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16/h2-4,6-8,11,13H,5,9H2,1H3,(H3,15,16).
What are the key properties of 4-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-diene-1-carboximidamide?
4-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 214.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 146521452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).