5,5-ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine

C15H27N — CID 67816670

IUPAC5,5-ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine
SMILESCC1C(N)=CC=CC1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H27N/c1-11-12(16)9-8-10-15(11,13(2,3)4)14(5,6)7/h8-11H,16H2,1-7H3
InChIKeyDXLFFFPFILLKEW-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.11
Rot. Bonds

About 5,5-ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine

5,5-ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine (PubChem CID 67816670) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 5,5-ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5,5-ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine
PubChem CID67816670
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name5,5-ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine
SMILESCC1C(N)=CC=CC1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H27N/c1-11-12(16)9-8-10-15(11,13(2,3)4)14(5,6)7/h8-11H,16H2,1-7H3
InChIKeyDXLFFFPFILLKEW-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,5-ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine 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 5,5-ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 5,5-ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine (CID 67816670) is 5,5-ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5,5-ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5,5-ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine is CC1C(N)=CC=CC1(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 5,5-ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is DXLFFFPFILLKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-11-12(16)9-8-10-15(11,13(2,3)4)14(5,6)7/h8-11H,16H2,1-7H3.
What are the key properties of 5,5-ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine?
5,5-ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 221.39 g/mol, XLogP of 4.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 67816670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).