1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane

C11H23N3 — CID 131160325

IUPAC1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane
SMILESCCN1CC(N2CCNC(C)CC2)C1
InChIInChI=1S/C11H23N3/c1-3-13-8-11(9-13)14-6-4-10(2)12-5-7-14/h10-12H,3-9H2,1-2H3
InChIKeyYQVYYHBVJLYFKO-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.37
Rot. Bonds2

About 1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane

1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane (PubChem CID 131160325) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane
PubChem CID131160325
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane
SMILESCCN1CC(N2CCNC(C)CC2)C1
InChIInChI=1S/C11H23N3/c1-3-13-8-11(9-13)14-6-4-10(2)12-5-7-14/h10-12H,3-9H2,1-2H3
InChIKeyYQVYYHBVJLYFKO-UHFFFAOYSA-N
XLogP0.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane
CID 55031716
1-(3,5-dimethylcyclohexyl)-5-methyl-1,4-diazepane
CID 64731728
1-(1-ethylazetidin-3-yl)piperidine
CID 69087799
1-(1-ethylpiperidin-3-yl)piperazine
CID 52992040
1-[1-(1-ethylazetidin-3-yl)piperidin-4-yl]ethanone
CID 155067124
1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane
CID 64942661
9-methyl-3-(5-methyl-1,4-diazepan-1-yl)-9-azabicyclo[3.3.1]nonane
CID 65472621
1-cyclopropyl-3-methylpiperazine
CID 64926788
1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine
CID 156885108
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786
1-(azetidin-3-yl)piperidine-4-sulfonamide;1-(1-ethylazetidin-3-yl)piperidine-4-sulfonamide;dihydrochloride
CID 159120920
(3R)-1-cycloheptyl-3-methylpiperazine
CID 95437868

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane?
The IUPAC name of 1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane (CID 131160325) is 1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane.
What is the SMILES notation for 1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane?
The canonical SMILES for 1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane is CCN1CC(N2CCNC(C)CC2)C1.
What is the InChIKey of 1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane?
The InChIKey is YQVYYHBVJLYFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-3-13-8-11(9-13)14-6-4-10(2)12-5-7-14/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane?
1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane has a molecular weight of 197.33 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane is sourced from PubChem (CID 131160325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).