tricyclo[5.3.1.04,9]undec-5-en-2-amine

C11H17N — CID 556163

IUPACtricyclo[5.3.1.04,9]undec-5-en-2-amine
SMILESNC1CC2C=CC3CC1CC2C3
InChIInChI=1S/C11H17N/c12-11-6-8-2-1-7-3-9(8)5-10(11)4-7/h1-2,7-11H,3-6,12H2
InChIKeyZMXJKGKAUIDCEK-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.94
Rot. Bonds

About tricyclo[5.3.1.04,9]undec-5-en-2-amine

tricyclo[5.3.1.04,9]undec-5-en-2-amine (PubChem CID 556163) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is tricyclo[5.3.1.04,9]undec-5-en-2-amine.

Molecular Properties

Compound Nametricyclo[5.3.1.04,9]undec-5-en-2-amine
PubChem CID556163
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Nametricyclo[5.3.1.04,9]undec-5-en-2-amine
SMILESNC1CC2C=CC3CC1CC2C3
InChIInChI=1S/C11H17N/c12-11-6-8-2-1-7-3-9(8)5-10(11)4-7/h1-2,7-11H,3-6,12H2
InChIKeyZMXJKGKAUIDCEK-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tricyclo[5.3.1.04,9]undec-5-en-2-amine?
The IUPAC name of tricyclo[5.3.1.04,9]undec-5-en-2-amine (CID 556163) is tricyclo[5.3.1.04,9]undec-5-en-2-amine.
What is the SMILES notation for tricyclo[5.3.1.04,9]undec-5-en-2-amine?
The canonical SMILES for tricyclo[5.3.1.04,9]undec-5-en-2-amine is NC1CC2C=CC3CC1CC2C3.
What is the InChIKey of tricyclo[5.3.1.04,9]undec-5-en-2-amine?
The InChIKey is ZMXJKGKAUIDCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c12-11-6-8-2-1-7-3-9(8)5-10(11)4-7/h1-2,7-11H,3-6,12H2.
What are the key properties of tricyclo[5.3.1.04,9]undec-5-en-2-amine?
tricyclo[5.3.1.04,9]undec-5-en-2-amine has a molecular weight of 163.26 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.3.1.04,9]undec-5-en-2-amine is sourced from PubChem (CID 556163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).