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

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Related Compounds

3,5-Dimethylxylidine
CID 70257503
2,3-Dimethylxylidin
CID 129889530
3-[3-fluoro-4-[(3Z)-octa-1,3,5-trien-2-yl]cyclohexa-2,4-dien-1-yl]but-1-en-2-amine
CID 143527515
2-Ethyl-1-methylcyclohexa-3,5-diene-1,3-diamine
CID 20027500
4-(4-Amino-1-methylcyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-1,5-dien-1-amine
CID 21938721
3,3,5,5-Tetramethylcyclohexen-1-amine
CID 22630157
4-Propan-2-ylcyclohexa-1,5-diene-1,4-diamine
CID 66589671
5,6-Diethyl-5-methylcyclohexa-1,3-dien-1-amine
CID 66958213
5-Ethyl-5-methylcyclohexa-1,3-dien-1-amine
CID 67747474
6-Methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 67816168
2-(6,6-Dimethylcyclohexa-2,4-dien-1-yl)ethanamine
CID 67865646
3-Ethyl-4-methylcyclohexa-1,5-diene-1,3-diamine
CID 67944092

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).