tricyclo[6.3.1.02,6]dodeca-2(6),3-dien-3-amine

C12H17N — CID 66842718

IUPACtricyclo[6.3.1.02,6]dodeca-2(6),3-dien-3-amine
SMILESNC1=CCC2=C1C1CCCC(C2)C1
InChIInChI=1S/C12H17N/c13-11-5-4-10-7-8-2-1-3-9(6-8)12(10)11/h5,8-9H,1-4,6-7,13H2
InChIKeyFHGWXOYFMZYQDF-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.74
Rot. Bonds

About tricyclo[6.3.1.02,6]dodeca-2(6),3-dien-3-amine

tricyclo[6.3.1.02,6]dodeca-2(6),3-dien-3-amine (PubChem CID 66842718) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is tricyclo[6.3.1.02,6]dodeca-2(6),3-dien-3-amine.

Molecular Properties

Compound Nametricyclo[6.3.1.02,6]dodeca-2(6),3-dien-3-amine
PubChem CID66842718
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Nametricyclo[6.3.1.02,6]dodeca-2(6),3-dien-3-amine
SMILESNC1=CCC2=C1C1CCCC(C2)C1
InChIInChI=1S/C12H17N/c13-11-5-4-10-7-8-2-1-3-9(6-8)12(10)11/h5,8-9H,1-4,6-7,13H2
InChIKeyFHGWXOYFMZYQDF-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[6.3.1.02,6]dodeca-2(6),3-dien-3-amine?
The IUPAC name of tricyclo[6.3.1.02,6]dodeca-2(6),3-dien-3-amine (CID 66842718) is tricyclo[6.3.1.02,6]dodeca-2(6),3-dien-3-amine.
What is the SMILES notation for tricyclo[6.3.1.02,6]dodeca-2(6),3-dien-3-amine?
The canonical SMILES for tricyclo[6.3.1.02,6]dodeca-2(6),3-dien-3-amine is NC1=CCC2=C1C1CCCC(C2)C1.
What is the InChIKey of tricyclo[6.3.1.02,6]dodeca-2(6),3-dien-3-amine?
The InChIKey is FHGWXOYFMZYQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c13-11-5-4-10-7-8-2-1-3-9(6-8)12(10)11/h5,8-9H,1-4,6-7,13H2.
What are the key properties of tricyclo[6.3.1.02,6]dodeca-2(6),3-dien-3-amine?
tricyclo[6.3.1.02,6]dodeca-2(6),3-dien-3-amine has a molecular weight of 175.28 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.3.1.02,6]dodeca-2(6),3-dien-3-amine is sourced from PubChem (CID 66842718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).