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

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Related Compounds

(E)-3-(6-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enal
CID 141008541
5,6-ditert-butyl-5-propan-2-ylcyclohexa-1,3-diene
CID 172558729
5,5-dimethyl-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 89187288
7-tert-butyl-7-methylcyclohepta-1,3,5-triene
CID 90813280
6-tert-butyl-6-chlorocyclohexa-2,4-dien-1-ol
CID 69459384
6-amino-6-bromocyclohexa-2,4-dien-1-ol
CID 68848046
1,6-dimethylcyclohexa-2,4-dien-1-ol;hydrate
CID 172555879
5-methyl-5-nitro-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 70422162
2-(6-chloro-6-methylcyclohexa-2,4-dien-1-yl)ethanamine
CID 70494698
6-chlorocyclohexa-2,4-diene-1,1-diamine
CID 174711807
4-tert-butyl-N-(1,6-diaminocyclohexa-2,4-dien-1-yl)benzamide
CID 150050775
1-tert-butylcyclohexa-2,4-dien-1-amine
CID 150805435

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).