1-ethyl-2-pyridin-2-yl-1,4-diazepane

C12H19N3 — CID 82283196

IUPAC1-ethyl-2-pyridin-2-yl-1,4-diazepane
SMILESCCN1CCCNCC1c1ccccn1
InChIInChI=1S/C12H19N3/c1-2-15-9-5-7-13-10-12(15)11-6-3-4-8-14-11/h3-4,6,8,12-13H,2,5,7,9-10H2,1H3
InChIKeyKSJLJEZMAIWVTD-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.44
Rot. Bonds2

About 1-ethyl-2-pyridin-2-yl-1,4-diazepane

1-ethyl-2-pyridin-2-yl-1,4-diazepane (PubChem CID 82283196) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-ethyl-2-pyridin-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-ethyl-2-pyridin-2-yl-1,4-diazepane
PubChem CID82283196
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-ethyl-2-pyridin-2-yl-1,4-diazepane
SMILESCCN1CCCNCC1c1ccccn1
InChIInChI=1S/C12H19N3/c1-2-15-9-5-7-13-10-12(15)11-6-3-4-8-14-11/h3-4,6,8,12-13H,2,5,7,9-10H2,1H3
InChIKeyKSJLJEZMAIWVTD-UHFFFAOYSA-N
XLogP1.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylimidazolidin-2-yl)pyridine
CID 148653618
2-phenyl-1-propyl-1,4-diazepane
CID 82242016
4-[(2-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole
CID 168861440
1-ethyl-2-(1H-imidazol-2-yl)piperazine
CID 82668736
2-(1-methylpiperazin-2-yl)-4-pyridin-2-ylpyrimidine
CID 116901846
2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970
(2S)-1-ethyl-2-methyl-1,4-diazepane
CID 92784931
(2R)-2-tert-butyl-1-ethyl-1,4-diazepane
CID 176994090
(1-ethyl-1,4-diazepan-2-yl)methanol
CID 82240889
2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
CID 91835201
2-[1-(azetidin-3-ylmethyl)-6-pyridin-2-ylpiperidin-2-yl]pyridine
CID 67421842
2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-pyridin-2-yl-1,4-diazepane?
The IUPAC name of 1-ethyl-2-pyridin-2-yl-1,4-diazepane (CID 82283196) is 1-ethyl-2-pyridin-2-yl-1,4-diazepane.
What is the SMILES notation for 1-ethyl-2-pyridin-2-yl-1,4-diazepane?
The canonical SMILES for 1-ethyl-2-pyridin-2-yl-1,4-diazepane is CCN1CCCNCC1c1ccccn1.
What is the InChIKey of 1-ethyl-2-pyridin-2-yl-1,4-diazepane?
The InChIKey is KSJLJEZMAIWVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-15-9-5-7-13-10-12(15)11-6-3-4-8-14-11/h3-4,6,8,12-13H,2,5,7,9-10H2,1H3.
What are the key properties of 1-ethyl-2-pyridin-2-yl-1,4-diazepane?
1-ethyl-2-pyridin-2-yl-1,4-diazepane has a molecular weight of 205.31 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-pyridin-2-yl-1,4-diazepane is sourced from PubChem (CID 82283196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).