1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C12H21N3 — CID 64856930

IUPAC1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1nc2c(n1C(C)(C)C)CCNC2
InChIInChI=1S/C12H21N3/c1-5-11-14-9-8-13-7-6-10(9)15(11)12(2,3)4/h13H,5-8H2,1-4H3
InChIKeyMEGRREIUYUPITQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.85
Rot. Bonds1

About 1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856930) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856930
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1nc2c(n1C(C)(C)C)CCNC2
InChIInChI=1S/C12H21N3/c1-5-11-14-9-8-13-7-6-10(9)15(11)12(2,3)4/h13H,5-8H2,1-4H3
InChIKeyMEGRREIUYUPITQ-UHFFFAOYSA-N
XLogP1.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-2-methylpropanamide
CID 64858172
1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857129
1-(cyclopropylmethyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857297
2-ethyl-1-(2-methylpentan-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857955
N,N-diethyl-2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethanamine
CID 64857512
2-ethyl-1-(4-methylcyclohexyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856928
4-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)morpholine
CID 83024046
1-(2,6-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858492
3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)propanamide
CID 64856554
2-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylacetamide
CID 64856742
1-(1-cyclopropylbutan-2-yl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857939
N,N-diethyl-3-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)propan-1-amine
CID 64858093

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856930) is 1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCc1nc2c(n1C(C)(C)C)CCNC2.
What is the InChIKey of 1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is MEGRREIUYUPITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-11-14-9-8-13-7-6-10(9)15(11)12(2,3)4/h13H,5-8H2,1-4H3.
What are the key properties of 1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 207.32 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).