1-pyridin-3-yl-1,5-diazocane

C11H17N3 — CID 11499356

IUPAC1-pyridin-3-yl-1,5-diazocane
SMILESc1cncc(N2CCCNCCC2)c1
InChIInChI=1S/C11H17N3/c1-4-11(10-13-5-1)14-8-2-6-12-7-3-9-14/h1,4-5,10,12H,2-3,6-9H2
InChIKeyAPYCQWZCHZQKRW-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.27
Rot. Bonds1

About 1-pyridin-3-yl-1,5-diazocane

1-pyridin-3-yl-1,5-diazocane (PubChem CID 11499356) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-pyridin-3-yl-1,5-diazocane.

Molecular Properties

Compound Name1-pyridin-3-yl-1,5-diazocane
PubChem CID11499356
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-pyridin-3-yl-1,5-diazocane
SMILESc1cncc(N2CCCNCCC2)c1
InChIInChI=1S/C11H17N3/c1-4-11(10-13-5-1)14-8-2-6-12-7-3-9-14/h1,4-5,10,12H,2-3,6-9H2
InChIKeyAPYCQWZCHZQKRW-UHFFFAOYSA-N
XLogP1.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-1,5-diazocane?
The IUPAC name of 1-pyridin-3-yl-1,5-diazocane (CID 11499356) is 1-pyridin-3-yl-1,5-diazocane.
What is the SMILES notation for 1-pyridin-3-yl-1,5-diazocane?
The canonical SMILES for 1-pyridin-3-yl-1,5-diazocane is c1cncc(N2CCCNCCC2)c1.
What is the InChIKey of 1-pyridin-3-yl-1,5-diazocane?
The InChIKey is APYCQWZCHZQKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-11(10-13-5-1)14-8-2-6-12-7-3-9-14/h1,4-5,10,12H,2-3,6-9H2.
What are the key properties of 1-pyridin-3-yl-1,5-diazocane?
1-pyridin-3-yl-1,5-diazocane has a molecular weight of 191.28 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-1,5-diazocane is sourced from PubChem (CID 11499356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).