N'-tert-butyl-3-methylcyclohexa-1,5-diene-1-carboximidamide

C12H20N2 — CID 166688785

IUPACN'-tert-butyl-3-methylcyclohexa-1,5-diene-1-carboximidamide
SMILESCC1C=C(/C(N)=N/C(C)(C)C)C=CC1
InChIInChI=1S/C12H20N2/c1-9-6-5-7-10(8-9)11(13)14-12(2,3)4/h5,7-9H,6H2,1-4H3,(H2,13,14)
InChIKeyDSVORCDVOYIOKU-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.66
Rot. Bonds1

About N'-tert-butyl-3-methylcyclohexa-1,5-diene-1-carboximidamide

N'-tert-butyl-3-methylcyclohexa-1,5-diene-1-carboximidamide (PubChem CID 166688785) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N'-tert-butyl-3-methylcyclohexa-1,5-diene-1-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-3-methylcyclohexa-1,5-diene-1-carboximidamide
PubChem CID166688785
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN'-tert-butyl-3-methylcyclohexa-1,5-diene-1-carboximidamide
SMILESCC1C=C(/C(N)=N/C(C)(C)C)C=CC1
InChIInChI=1S/C12H20N2/c1-9-6-5-7-10(8-9)11(13)14-12(2,3)4/h5,7-9H,6H2,1-4H3,(H2,13,14)
InChIKeyDSVORCDVOYIOKU-UHFFFAOYSA-N
XLogP2.66
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.66
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 N'-tert-butyl-3-methylcyclohexa-1,5-diene-1-carboximidamide?
The IUPAC name of N'-tert-butyl-3-methylcyclohexa-1,5-diene-1-carboximidamide (CID 166688785) is N'-tert-butyl-3-methylcyclohexa-1,5-diene-1-carboximidamide.
What is the SMILES notation for N'-tert-butyl-3-methylcyclohexa-1,5-diene-1-carboximidamide?
The canonical SMILES for N'-tert-butyl-3-methylcyclohexa-1,5-diene-1-carboximidamide is CC1C=C(/C(N)=N/C(C)(C)C)C=CC1.
What is the InChIKey of N'-tert-butyl-3-methylcyclohexa-1,5-diene-1-carboximidamide?
The InChIKey is DSVORCDVOYIOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-6-5-7-10(8-9)11(13)14-12(2,3)4/h5,7-9H,6H2,1-4H3,(H2,13,14).
What are the key properties of N'-tert-butyl-3-methylcyclohexa-1,5-diene-1-carboximidamide?
N'-tert-butyl-3-methylcyclohexa-1,5-diene-1-carboximidamide has a molecular weight of 192.31 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3-methylcyclohexa-1,5-diene-1-carboximidamide is sourced from PubChem (CID 166688785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).