3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylaniline

C16H22N4 — CID 115379219

IUPAC3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylaniline
SMILESCCc1nc2c(n1-c1cccc(N(C)C)c1)CCNC2
InChIInChI=1S/C16H22N4/c1-4-16-18-14-11-17-9-8-15(14)20(16)13-7-5-6-12(10-13)19(2)3/h5-7,10,17H,4,8-9,11H2,1-3H3
InChIKeyMBEVJXPXHXDKED-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.15
Rot. Bonds3

About 3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylaniline

3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylaniline (PubChem CID 115379219) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylaniline
PubChem CID115379219
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylaniline
SMILESCCc1nc2c(n1-c1cccc(N(C)C)c1)CCNC2
InChIInChI=1S/C16H22N4/c1-4-16-18-14-11-17-9-8-15(14)20(16)13-7-5-6-12(10-13)19(2)3/h5-7,10,17H,4,8-9,11H2,1-3H3
InChIKeyMBEVJXPXHXDKED-UHFFFAOYSA-N
XLogP2.15
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylaniline?
The IUPAC name of 3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylaniline (CID 115379219) is 3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylaniline?
The canonical SMILES for 3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylaniline is CCc1nc2c(n1-c1cccc(N(C)C)c1)CCNC2.
What is the InChIKey of 3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylaniline?
The InChIKey is MBEVJXPXHXDKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-16-18-14-11-17-9-8-15(14)20(16)13-7-5-6-12(10-13)19(2)3/h5-7,10,17H,4,8-9,11H2,1-3H3.
What are the key properties of 3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylaniline?
3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylaniline has a molecular weight of 270.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylaniline is sourced from PubChem (CID 115379219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).