5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine

C11H17N — CID 89088056

IUPAC5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine
SMILESCC1=CC=C(N)C2C(C)C1C2C
InChIInChI=1S/C11H17N/c1-6-4-5-9(12)11-7(2)10(6)8(11)3/h4-5,7-8,10-11H,12H2,1-3H3
InChIKeyFMPHERFQHOMBAC-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.31
Rot. Bonds

About 5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine

5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine (PubChem CID 89088056) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine.

Molecular Properties

Compound Name5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine
PubChem CID89088056
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine
SMILESCC1=CC=C(N)C2C(C)C1C2C
InChIInChI=1S/C11H17N/c1-6-4-5-9(12)11-7(2)10(6)8(11)3/h4-5,7-8,10-11H,12H2,1-3H3
InChIKeyFMPHERFQHOMBAC-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine?
The IUPAC name of 5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine (CID 89088056) is 5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine.
What is the SMILES notation for 5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine?
The canonical SMILES for 5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine is CC1=CC=C(N)C2C(C)C1C2C.
What is the InChIKey of 5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine?
The InChIKey is FMPHERFQHOMBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-6-4-5-9(12)11-7(2)10(6)8(11)3/h4-5,7-8,10-11H,12H2,1-3H3.
What are the key properties of 5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine?
5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine has a molecular weight of 163.26 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine is sourced from PubChem (CID 89088056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).