6-methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine

C13H23N — CID 67816168

IUPAC6-methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
SMILESCC(C)C1(C(C)C)C=CC=C(N)C1C
InChIInChI=1S/C13H23N/c1-9(2)13(10(3)4)8-6-7-12(14)11(13)5/h6-11H,14H2,1-5H3
InChIKeyAXNJBAOVVOHYEQ-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.33
Rot. Bonds2

About 6-methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine

6-methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine (PubChem CID 67816168) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 6-methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
PubChem CID67816168
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name6-methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
SMILESCC(C)C1(C(C)C)C=CC=C(N)C1C
InChIInChI=1S/C13H23N/c1-9(2)13(10(3)4)8-6-7-12(14)11(13)5/h6-11H,14H2,1-5H3
InChIKeyAXNJBAOVVOHYEQ-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine (CID 67816168) is 6-methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine is CC(C)C1(C(C)C)C=CC=C(N)C1C.
What is the InChIKey of 6-methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine?
The InChIKey is AXNJBAOVVOHYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-9(2)13(10(3)4)8-6-7-12(14)11(13)5/h6-11H,14H2,1-5H3.
What are the key properties of 6-methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine?
6-methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 67816168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).