(3Z)-3-(2-bicyclo[2.2.2]octanylidene)propan-1-amine

C11H19N — CID 131261207

IUPAC(3Z)-3-(2-bicyclo[2.2.2]octanylidene)propan-1-amine
SMILESNCC/C=C1/CC2CCC1CC2
InChIInChI=1S/C11H19N/c12-7-1-2-11-8-9-3-5-10(11)6-4-9/h2,9-10H,1,3-8,12H2/b11-2-
InChIKeyPJEBSRIHNHQLIS-FUQNDXKWSA-N
MW165.28 g/mol
LogP2.47
Rot. Bonds2

About (3Z)-3-(2-bicyclo[2.2.2]octanylidene)propan-1-amine

(3Z)-3-(2-bicyclo[2.2.2]octanylidene)propan-1-amine (PubChem CID 131261207) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (3Z)-3-(2-bicyclo[2.2.2]octanylidene)propan-1-amine.

Molecular Properties

Compound Name(3Z)-3-(2-bicyclo[2.2.2]octanylidene)propan-1-amine
PubChem CID131261207
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(3Z)-3-(2-bicyclo[2.2.2]octanylidene)propan-1-amine
SMILESNCC/C=C1/CC2CCC1CC2
InChIInChI=1S/C11H19N/c12-7-1-2-11-8-9-3-5-10(11)6-4-9/h2,9-10H,1,3-8,12H2/b11-2-
InChIKeyPJEBSRIHNHQLIS-FUQNDXKWSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.47
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 (3Z)-3-(2-bicyclo[2.2.2]octanylidene)propan-1-amine?
The IUPAC name of (3Z)-3-(2-bicyclo[2.2.2]octanylidene)propan-1-amine (CID 131261207) is (3Z)-3-(2-bicyclo[2.2.2]octanylidene)propan-1-amine.
What is the SMILES notation for (3Z)-3-(2-bicyclo[2.2.2]octanylidene)propan-1-amine?
The canonical SMILES for (3Z)-3-(2-bicyclo[2.2.2]octanylidene)propan-1-amine is NCC/C=C1/CC2CCC1CC2.
What is the InChIKey of (3Z)-3-(2-bicyclo[2.2.2]octanylidene)propan-1-amine?
The InChIKey is PJEBSRIHNHQLIS-FUQNDXKWSA-N. The full InChI is InChI=1S/C11H19N/c12-7-1-2-11-8-9-3-5-10(11)6-4-9/h2,9-10H,1,3-8,12H2/b11-2-.
What are the key properties of (3Z)-3-(2-bicyclo[2.2.2]octanylidene)propan-1-amine?
(3Z)-3-(2-bicyclo[2.2.2]octanylidene)propan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2-bicyclo[2.2.2]octanylidene)propan-1-amine is sourced from PubChem (CID 131261207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).