(1S,2S,4S,7S,9R)-tricyclo[5.3.1.04,9]undec-5-en-2-amine

C11H17N — CID 130754173

IUPAC(1S,2S,4S,7S,9R)-tricyclo[5.3.1.04,9]undec-5-en-2-amine
SMILESN[C@H]1C[C@@H]2C=CC3CC1C[C@H]2C3
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/t7?,8-,9+,10?,11-/m0/s1
InChIKeyZMXJKGKAUIDCEK-LNCCZOCTSA-N
MW163.26 g/mol
LogP1.94
Rot. Bonds

About (1S,2S,4S,7S,9R)-tricyclo[5.3.1.04,9]undec-5-en-2-amine

(1S,2S,4S,7S,9R)-tricyclo[5.3.1.04,9]undec-5-en-2-amine (PubChem CID 130754173) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (1S,2S,4S,7S,9R)-tricyclo[5.3.1.04,9]undec-5-en-2-amine.

Molecular Properties

Compound Name(1S,2S,4S,7S,9R)-tricyclo[5.3.1.04,9]undec-5-en-2-amine
PubChem CID130754173
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(1S,2S,4S,7S,9R)-tricyclo[5.3.1.04,9]undec-5-en-2-amine
SMILESN[C@H]1C[C@@H]2C=CC3CC1C[C@H]2C3
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/t7?,8-,9+,10?,11-/m0/s1
InChIKeyZMXJKGKAUIDCEK-LNCCZOCTSA-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 (1S,2S,4S,7S,9R)-tricyclo[5.3.1.04,9]undec-5-en-2-amine?
The IUPAC name of (1S,2S,4S,7S,9R)-tricyclo[5.3.1.04,9]undec-5-en-2-amine (CID 130754173) is (1S,2S,4S,7S,9R)-tricyclo[5.3.1.04,9]undec-5-en-2-amine.
What is the SMILES notation for (1S,2S,4S,7S,9R)-tricyclo[5.3.1.04,9]undec-5-en-2-amine?
The canonical SMILES for (1S,2S,4S,7S,9R)-tricyclo[5.3.1.04,9]undec-5-en-2-amine is N[C@H]1C[C@@H]2C=CC3CC1C[C@H]2C3.
What is the InChIKey of (1S,2S,4S,7S,9R)-tricyclo[5.3.1.04,9]undec-5-en-2-amine?
The InChIKey is ZMXJKGKAUIDCEK-LNCCZOCTSA-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/t7?,8-,9+,10?,11-/m0/s1.
What are the key properties of (1S,2S,4S,7S,9R)-tricyclo[5.3.1.04,9]undec-5-en-2-amine?
(1S,2S,4S,7S,9R)-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 (1S,2S,4S,7S,9R)-tricyclo[5.3.1.04,9]undec-5-en-2-amine is sourced from PubChem (CID 130754173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).