(2R,5S,7R)-2-pyridin-3-yl-1-azatricyclo[3.3.1.13,7]decane

C14H18N2 — CID 91808049

IUPAC(2R,5S,7R)-2-pyridin-3-yl-1-azatricyclo[3.3.1.13,7]decane
SMILESc1cncc([C@H]2C3C[C@@H]4C[C@H](C3)CN2C4)c1
InChIInChI=1S/C14H18N2/c1-2-12(7-15-3-1)14-13-5-10-4-11(6-13)9-16(14)8-10/h1-3,7,10-11,13-14H,4-6,8-9H2/t10-,11+,13?,14-/m0/s1
InChIKeyINDYXBQOPZTSTJ-OWZDMKDPSA-N
MW214.31 g/mol
LogP2.48
Rot. Bonds1

About (2R,5S,7R)-2-pyridin-3-yl-1-azatricyclo[3.3.1.13,7]decane

(2R,5S,7R)-2-pyridin-3-yl-1-azatricyclo[3.3.1.13,7]decane (PubChem CID 91808049) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2R,5S,7R)-2-pyridin-3-yl-1-azatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name(2R,5S,7R)-2-pyridin-3-yl-1-azatricyclo[3.3.1.13,7]decane
PubChem CID91808049
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name(2R,5S,7R)-2-pyridin-3-yl-1-azatricyclo[3.3.1.13,7]decane
SMILESc1cncc([C@H]2C3C[C@@H]4C[C@H](C3)CN2C4)c1
InChIInChI=1S/C14H18N2/c1-2-12(7-15-3-1)14-13-5-10-4-11(6-13)9-16(14)8-10/h1-3,7,10-11,13-14H,4-6,8-9H2/t10-,11+,13?,14-/m0/s1
InChIKeyINDYXBQOPZTSTJ-OWZDMKDPSA-N
XLogP2.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5S,7R)-2-pyridin-3-yl-1-azatricyclo[3.3.1.13,7]decane?
The IUPAC name of (2R,5S,7R)-2-pyridin-3-yl-1-azatricyclo[3.3.1.13,7]decane (CID 91808049) is (2R,5S,7R)-2-pyridin-3-yl-1-azatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for (2R,5S,7R)-2-pyridin-3-yl-1-azatricyclo[3.3.1.13,7]decane?
The canonical SMILES for (2R,5S,7R)-2-pyridin-3-yl-1-azatricyclo[3.3.1.13,7]decane is c1cncc([C@H]2C3C[C@@H]4C[C@H](C3)CN2C4)c1.
What is the InChIKey of (2R,5S,7R)-2-pyridin-3-yl-1-azatricyclo[3.3.1.13,7]decane?
The InChIKey is INDYXBQOPZTSTJ-OWZDMKDPSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-12(7-15-3-1)14-13-5-10-4-11(6-13)9-16(14)8-10/h1-3,7,10-11,13-14H,4-6,8-9H2/t10-,11+,13?,14-/m0/s1.
What are the key properties of (2R,5S,7R)-2-pyridin-3-yl-1-azatricyclo[3.3.1.13,7]decane?
(2R,5S,7R)-2-pyridin-3-yl-1-azatricyclo[3.3.1.13,7]decane has a molecular weight of 214.31 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,7R)-2-pyridin-3-yl-1-azatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 91808049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).