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

C12H19N3 — CID 3815580

IUPAC1-(1-pyridin-2-ylethyl)-1,4-diazepane
SMILESCC(c1ccccn1)N1CCCNCC1
InChIInChI=1S/C12H19N3/c1-11(12-5-2-3-7-14-12)15-9-4-6-13-8-10-15/h2-3,5,7,11,13H,4,6,8-10H2,1H3
InChIKeyRGFKBOVFWIIWFE-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.44
Rot. Bonds2

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

1-(1-pyridin-2-ylethyl)-1,4-diazepane (PubChem CID 3815580) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-(1-pyridin-2-ylethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(1-pyridin-2-ylethyl)-1,4-diazepane
PubChem CID3815580
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-(1-pyridin-2-ylethyl)-1,4-diazepane
SMILESCC(c1ccccn1)N1CCCNCC1
InChIInChI=1S/C12H19N3/c1-11(12-5-2-3-7-14-12)15-9-4-6-13-8-10-15/h2-3,5,7,11,13H,4,6,8-10H2,1H3
InChIKeyRGFKBOVFWIIWFE-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

1-[(2-methylphenyl)-pyridin-2-ylmethyl]-1,4-diazepane
CID 5106735
1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine
CID 66202131
2-piperazin-1-yl-1-pyridin-2-ylpropan-1-amine
CID 116946771
4-[(1S)-1-pyridin-2-ylethyl]-1,4-thiazepane
CID 97100104
3-ethyl-3-methyl-1-(1-pyridin-2-ylethyl)-1,4-diazepane
CID 64944972
4-[1-(1,4-diazepan-1-yl)ethyl]quinoline
CID 3750688
1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane
CID 3722689
1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride
CID 171287156
1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane
CID 3818846
2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine
CID 65463534
1-(1-pyridin-2-yl-2-pyrrolidin-1-ylethyl)piperazine
CID 83980171
1-[(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethyl]-1,4-diazepane
CID 4550938

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-2-ylethyl)-1,4-diazepane?
The IUPAC name of 1-(1-pyridin-2-ylethyl)-1,4-diazepane (CID 3815580) is 1-(1-pyridin-2-ylethyl)-1,4-diazepane.
What is the SMILES notation for 1-(1-pyridin-2-ylethyl)-1,4-diazepane?
The canonical SMILES for 1-(1-pyridin-2-ylethyl)-1,4-diazepane is CC(c1ccccn1)N1CCCNCC1.
What is the InChIKey of 1-(1-pyridin-2-ylethyl)-1,4-diazepane?
The InChIKey is RGFKBOVFWIIWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-11(12-5-2-3-7-14-12)15-9-4-6-13-8-10-15/h2-3,5,7,11,13H,4,6,8-10H2,1H3.
What are the key properties of 1-(1-pyridin-2-ylethyl)-1,4-diazepane?
1-(1-pyridin-2-ylethyl)-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-(1-pyridin-2-ylethyl)-1,4-diazepane is sourced from PubChem (CID 3815580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).