6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane

C14H23N3 — CID 54972790

IUPAC6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane
SMILESCCC1CCN(c2cccnc2)CC(C)CN1
InChIInChI=1S/C14H23N3/c1-3-13-6-8-17(11-12(2)9-16-13)14-5-4-7-15-10-14/h4-5,7,10,12-13,16H,3,6,8-9,11H2,1-2H3
InChIKeyVXODHGPWVJDTLW-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.30
Rot. Bonds2

About 6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane

6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane (PubChem CID 54972790) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane.

Molecular Properties

Compound Name6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane
PubChem CID54972790
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane
SMILESCCC1CCN(c2cccnc2)CC(C)CN1
InChIInChI=1S/C14H23N3/c1-3-13-6-8-17(11-12(2)9-16-13)14-5-4-7-15-10-14/h4-5,7,10,12-13,16H,3,6,8-9,11H2,1-2H3
InChIKeyVXODHGPWVJDTLW-UHFFFAOYSA-N
XLogP2.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane?
The IUPAC name of 6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane (CID 54972790) is 6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane.
What is the SMILES notation for 6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane?
The canonical SMILES for 6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane is CCC1CCN(c2cccnc2)CC(C)CN1.
What is the InChIKey of 6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane?
The InChIKey is VXODHGPWVJDTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-13-6-8-17(11-12(2)9-16-13)14-5-4-7-15-10-14/h4-5,7,10,12-13,16H,3,6,8-9,11H2,1-2H3.
What are the key properties of 6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane?
6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane has a molecular weight of 233.36 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane is sourced from PubChem (CID 54972790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).