1-(2-pyridin-2-ylethyl)-1,4-diazepane

C12H19N3 — CID 8022497

IUPAC1-(2-pyridin-2-ylethyl)-1,4-diazepane
SMILESc1ccc(CCN2CCCNCC2)nc1
InChIInChI=1S/C12H19N3/c1-2-7-14-12(4-1)5-10-15-9-3-6-13-8-11-15/h1-2,4,7,13H,3,5-6,8-11H2
InChIKeyOYHOYOZEGDULOB-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.92
Rot. Bonds3

About 1-(2-pyridin-2-ylethyl)-1,4-diazepane

1-(2-pyridin-2-ylethyl)-1,4-diazepane (PubChem CID 8022497) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethyl)-1,4-diazepane
PubChem CID8022497
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-(2-pyridin-2-ylethyl)-1,4-diazepane
SMILESc1ccc(CCN2CCCNCC2)nc1
InChIInChI=1S/C12H19N3/c1-2-7-14-12(4-1)5-10-15-9-3-6-13-8-11-15/h1-2,4,7,13H,3,5-6,8-11H2
InChIKeyOYHOYOZEGDULOB-UHFFFAOYSA-N
XLogP0.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-diazepan-1-yl)-3-pyridin-2-ylpropan-2-one
CID 116565633
3,3-dimethyl-1-(2-pyridin-2-ylethyl)-1,4-diazepane
CID 64942804
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
N-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine
CID 115230160
1-(2-pyridin-2-ylethyl)diazinane
CID 130826026
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
1-(2-phenylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 14869439
N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 54945083
4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]-1,4-diazepane
CID 102796958
3-phenyl-1-[4-(2-pyridin-2-ylethyl)-1,4-diazepan-1-yl]propan-1-one
CID 71923297

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethyl)-1,4-diazepane?
The IUPAC name of 1-(2-pyridin-2-ylethyl)-1,4-diazepane (CID 8022497) is 1-(2-pyridin-2-ylethyl)-1,4-diazepane.
What is the SMILES notation for 1-(2-pyridin-2-ylethyl)-1,4-diazepane?
The canonical SMILES for 1-(2-pyridin-2-ylethyl)-1,4-diazepane is c1ccc(CCN2CCCNCC2)nc1.
What is the InChIKey of 1-(2-pyridin-2-ylethyl)-1,4-diazepane?
The InChIKey is OYHOYOZEGDULOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-7-14-12(4-1)5-10-15-9-3-6-13-8-11-15/h1-2,4,7,13H,3,5-6,8-11H2.
What are the key properties of 1-(2-pyridin-2-ylethyl)-1,4-diazepane?
1-(2-pyridin-2-ylethyl)-1,4-diazepane has a molecular weight of 205.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethyl)-1,4-diazepane is sourced from PubChem (CID 8022497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).