3-(1-ethylazetidin-3-yl)-3,9-diazabicyclo[3.3.2]decane

C13H25N3 — CID 155400369

IUPAC3-(1-ethylazetidin-3-yl)-3,9-diazabicyclo[3.3.2]decane
SMILESCCN1CC(N2CC3CCCC(C2)NC3)C1
InChIInChI=1S/C13H25N3/c1-2-15-9-13(10-15)16-7-11-4-3-5-12(8-16)14-6-11/h11-14H,2-10H2,1H3
InChIKeyOSDBMHFISWJHRR-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.76
Rot. Bonds2

About 3-(1-ethylazetidin-3-yl)-3,9-diazabicyclo[3.3.2]decane

3-(1-ethylazetidin-3-yl)-3,9-diazabicyclo[3.3.2]decane (PubChem CID 155400369) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-(1-ethylazetidin-3-yl)-3,9-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name3-(1-ethylazetidin-3-yl)-3,9-diazabicyclo[3.3.2]decane
PubChem CID155400369
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-(1-ethylazetidin-3-yl)-3,9-diazabicyclo[3.3.2]decane
SMILESCCN1CC(N2CC3CCCC(C2)NC3)C1
InChIInChI=1S/C13H25N3/c1-2-15-9-13(10-15)16-7-11-4-3-5-12(8-16)14-6-11/h11-14H,2-10H2,1H3
InChIKeyOSDBMHFISWJHRR-UHFFFAOYSA-N
XLogP0.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylazetidin-3-yl)-3,9-diazabicyclo[3.3.2]decane?
The IUPAC name of 3-(1-ethylazetidin-3-yl)-3,9-diazabicyclo[3.3.2]decane (CID 155400369) is 3-(1-ethylazetidin-3-yl)-3,9-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 3-(1-ethylazetidin-3-yl)-3,9-diazabicyclo[3.3.2]decane?
The canonical SMILES for 3-(1-ethylazetidin-3-yl)-3,9-diazabicyclo[3.3.2]decane is CCN1CC(N2CC3CCCC(C2)NC3)C1.
What is the InChIKey of 3-(1-ethylazetidin-3-yl)-3,9-diazabicyclo[3.3.2]decane?
The InChIKey is OSDBMHFISWJHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-2-15-9-13(10-15)16-7-11-4-3-5-12(8-16)14-6-11/h11-14H,2-10H2,1H3.
What are the key properties of 3-(1-ethylazetidin-3-yl)-3,9-diazabicyclo[3.3.2]decane?
3-(1-ethylazetidin-3-yl)-3,9-diazabicyclo[3.3.2]decane has a molecular weight of 223.36 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylazetidin-3-yl)-3,9-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 155400369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).