1,6-ditert-butylcyclohexa-2,4-dien-1-amine

C14H25N — CID 176901805

IUPAC1,6-ditert-butylcyclohexa-2,4-dien-1-amine
SMILESCC(C)(C)C1C=CC=CC1(N)C(C)(C)C
InChIInChI=1S/C14H25N/c1-12(2,3)11-9-7-8-10-14(11,15)13(4,5)6/h7-11H,15H2,1-6H3
InChIKeyUHACHUBUXSVQSV-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.52
Rot. Bonds

About 1,6-ditert-butylcyclohexa-2,4-dien-1-amine

1,6-ditert-butylcyclohexa-2,4-dien-1-amine (PubChem CID 176901805) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1,6-ditert-butylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1,6-ditert-butylcyclohexa-2,4-dien-1-amine
PubChem CID176901805
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1,6-ditert-butylcyclohexa-2,4-dien-1-amine
SMILESCC(C)(C)C1C=CC=CC1(N)C(C)(C)C
InChIInChI=1S/C14H25N/c1-12(2,3)11-9-7-8-10-14(11,15)13(4,5)6/h7-11H,15H2,1-6H3
InChIKeyUHACHUBUXSVQSV-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,6-ditert-butylcyclohexa-2,4-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 1,6-ditert-butylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1,6-ditert-butylcyclohexa-2,4-dien-1-amine (CID 176901805) is 1,6-ditert-butylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1,6-ditert-butylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1,6-ditert-butylcyclohexa-2,4-dien-1-amine is CC(C)(C)C1C=CC=CC1(N)C(C)(C)C.
What is the InChIKey of 1,6-ditert-butylcyclohexa-2,4-dien-1-amine?
The InChIKey is UHACHUBUXSVQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-12(2,3)11-9-7-8-10-14(11,15)13(4,5)6/h7-11H,15H2,1-6H3.
What are the key properties of 1,6-ditert-butylcyclohexa-2,4-dien-1-amine?
1,6-ditert-butylcyclohexa-2,4-dien-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-ditert-butylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 176901805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).