3-ethyl-3-methyl-1-pyridin-3-yl-1,4-diazepane

C13H21N3 — CID 64941326

IUPAC3-ethyl-3-methyl-1-pyridin-3-yl-1,4-diazepane
SMILESCCC1(C)CN(c2cccnc2)CCCN1
InChIInChI=1S/C13H21N3/c1-3-13(2)11-16(9-5-8-15-13)12-6-4-7-14-10-12/h4,6-7,10,15H,3,5,8-9,11H2,1-2H3
InChIKeyOXBDHUNMUOZZCK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.05
Rot. Bonds2

About 3-ethyl-3-methyl-1-pyridin-3-yl-1,4-diazepane

3-ethyl-3-methyl-1-pyridin-3-yl-1,4-diazepane (PubChem CID 64941326) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-pyridin-3-yl-1,4-diazepane.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-pyridin-3-yl-1,4-diazepane
PubChem CID64941326
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-ethyl-3-methyl-1-pyridin-3-yl-1,4-diazepane
SMILESCCC1(C)CN(c2cccnc2)CCCN1
InChIInChI=1S/C13H21N3/c1-3-13(2)11-16(9-5-8-15-13)12-6-4-7-14-10-12/h4,6-7,10,15H,3,5,8-9,11H2,1-2H3
InChIKeyOXBDHUNMUOZZCK-UHFFFAOYSA-N
XLogP2.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)-1,4-diazepane
CID 107586903
11-pyridin-3-yl-7,11-diazaspiro[5.6]dodecane
CID 64941322
3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine
CID 64920015
3-ethyl-3-methyl-1-(3-methylsulfanylphenyl)-1,4-diazepane
CID 64943561
7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride
CID 22291216
3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane
CID 64949149
1-(3-butan-2-yloxyphenyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64949965
6,6-dimethyl-1-pyridin-3-yl-1,4-diazepane
CID 115100787
1-methyl-8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane;8-pyridin-3-yl-1,8-diazaspiro[5.5]undecane
CID 67481835
3-ethyl-1-(3-fluoro-4-methylphenyl)-3-methyl-1,4-diazepane
CID 64943895
3-ethyl-1-(3-fluoro-2-methylphenyl)-3-methyl-1,4-diazepane
CID 64945422
1-ethyl-4-pyridin-3-yl-1,4-diazepane
CID 22478498

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-pyridin-3-yl-1,4-diazepane?
The IUPAC name of 3-ethyl-3-methyl-1-pyridin-3-yl-1,4-diazepane (CID 64941326) is 3-ethyl-3-methyl-1-pyridin-3-yl-1,4-diazepane.
What is the SMILES notation for 3-ethyl-3-methyl-1-pyridin-3-yl-1,4-diazepane?
The canonical SMILES for 3-ethyl-3-methyl-1-pyridin-3-yl-1,4-diazepane is CCC1(C)CN(c2cccnc2)CCCN1.
What is the InChIKey of 3-ethyl-3-methyl-1-pyridin-3-yl-1,4-diazepane?
The InChIKey is OXBDHUNMUOZZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-13(2)11-16(9-5-8-15-13)12-6-4-7-14-10-12/h4,6-7,10,15H,3,5,8-9,11H2,1-2H3.
What are the key properties of 3-ethyl-3-methyl-1-pyridin-3-yl-1,4-diazepane?
3-ethyl-3-methyl-1-pyridin-3-yl-1,4-diazepane has a molecular weight of 219.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-pyridin-3-yl-1,4-diazepane is sourced from PubChem (CID 64941326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).