2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

C14H24N4O2 — CID 58408398

IUPAC2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESCC(C)C1c2nc[nH]c2CCN1C(=O)OCCN(C)C
InChIInChI=1S/C14H24N4O2/c1-10(2)13-12-11(15-9-16-12)5-6-18(13)14(19)20-8-7-17(3)4/h9-10,13H,5-8H2,1-4H3,(H,15,16)
InChIKeyXYKAPZXCAKKASW-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.66
Rot. Bonds4

About 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 58408398) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
PubChem CID58408398
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESCC(C)C1c2nc[nH]c2CCN1C(=O)OCCN(C)C
InChIInChI=1S/C14H24N4O2/c1-10(2)13-12-11(15-9-16-12)5-6-18(13)14(19)20-8-7-17(3)4/h9-10,13H,5-8H2,1-4H3,(H,15,16)
InChIKeyXYKAPZXCAKKASW-UHFFFAOYSA-N
XLogP1.66
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (CID 58408398) is 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is CC(C)C1c2nc[nH]c2CCN1C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is XYKAPZXCAKKASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)13-12-11(15-9-16-12)5-6-18(13)14(19)20-8-7-17(3)4/h9-10,13H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 58408398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).