N'-tert-butyl-4,4-dimethylcyclohexane-1-carboximidamide

C13H26N2 — CID 65392066

IUPACN'-tert-butyl-4,4-dimethylcyclohexane-1-carboximidamide
SMILESCC1(C)CCC(/C(N)=N/C(C)(C)C)CC1
InChIInChI=1S/C13H26N2/c1-12(2,3)15-11(14)10-6-8-13(4,5)9-7-10/h10H,6-9H2,1-5H3,(H2,14,15)
InChIKeySCOGTTRNQFJAAW-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.36
Rot. Bonds1

About N'-tert-butyl-4,4-dimethylcyclohexane-1-carboximidamide

N'-tert-butyl-4,4-dimethylcyclohexane-1-carboximidamide (PubChem CID 65392066) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N'-tert-butyl-4,4-dimethylcyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-4,4-dimethylcyclohexane-1-carboximidamide
PubChem CID65392066
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN'-tert-butyl-4,4-dimethylcyclohexane-1-carboximidamide
SMILESCC1(C)CCC(/C(N)=N/C(C)(C)C)CC1
InChIInChI=1S/C13H26N2/c1-12(2,3)15-11(14)10-6-8-13(4,5)9-7-10/h10H,6-9H2,1-5H3,(H2,14,15)
InChIKeySCOGTTRNQFJAAW-UHFFFAOYSA-N
XLogP3.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.36
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'-tert-butyl-4,4-dimethylcyclohexane-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

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-4,4-dimethylcyclohexane-1-carboximidamide?
The IUPAC name of N'-tert-butyl-4,4-dimethylcyclohexane-1-carboximidamide (CID 65392066) is N'-tert-butyl-4,4-dimethylcyclohexane-1-carboximidamide.
What is the SMILES notation for N'-tert-butyl-4,4-dimethylcyclohexane-1-carboximidamide?
The canonical SMILES for N'-tert-butyl-4,4-dimethylcyclohexane-1-carboximidamide is CC1(C)CCC(/C(N)=N/C(C)(C)C)CC1.
What is the InChIKey of N'-tert-butyl-4,4-dimethylcyclohexane-1-carboximidamide?
The InChIKey is SCOGTTRNQFJAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12(2,3)15-11(14)10-6-8-13(4,5)9-7-10/h10H,6-9H2,1-5H3,(H2,14,15).
What are the key properties of N'-tert-butyl-4,4-dimethylcyclohexane-1-carboximidamide?
N'-tert-butyl-4,4-dimethylcyclohexane-1-carboximidamide has a molecular weight of 210.36 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-4,4-dimethylcyclohexane-1-carboximidamide is sourced from PubChem (CID 65392066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).