3-methyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine

C12H15N — CID 79729758

IUPAC3-methyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine
SMILESCC1C(N)c2cccc3c2C1CC3
InChIInChI=1S/C12H15N/c1-7-9-6-5-8-3-2-4-10(11(8)9)12(7)13/h2-4,7,9,12H,5-6,13H2,1H3
InChIKeySWAXMCVABHQTOD-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.37
Rot. Bonds

About 3-methyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine

3-methyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine (PubChem CID 79729758) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-methyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine.

Molecular Properties

Compound Name3-methyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine
PubChem CID79729758
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-methyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine
SMILESCC1C(N)c2cccc3c2C1CC3
InChIInChI=1S/C12H15N/c1-7-9-6-5-8-3-2-4-10(11(8)9)12(7)13/h2-4,7,9,12H,5-6,13H2,1H3
InChIKeySWAXMCVABHQTOD-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine?
The IUPAC name of 3-methyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine (CID 79729758) is 3-methyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine.
What is the SMILES notation for 3-methyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine?
The canonical SMILES for 3-methyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine is CC1C(N)c2cccc3c2C1CC3.
What is the InChIKey of 3-methyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine?
The InChIKey is SWAXMCVABHQTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-7-9-6-5-8-3-2-4-10(11(8)9)12(7)13/h2-4,7,9,12H,5-6,13H2,1H3.
What are the key properties of 3-methyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine?
3-methyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine has a molecular weight of 173.26 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine is sourced from PubChem (CID 79729758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).