2-cyclopropyl-1-octan-4-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C17H29N3 — CID 106021293

IUPAC2-cyclopropyl-1-octan-4-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCCC(CCC)n1c(C2CC2)nc2c1CCNC2
InChIInChI=1S/C17H29N3/c1-3-5-7-14(6-4-2)20-16-10-11-18-12-15(16)19-17(20)13-8-9-13/h13-14,18H,3-12H2,1-2H3
InChIKeyQBUPCNVHFMUEMN-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.94
Rot. Bonds7

About 2-cyclopropyl-1-octan-4-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

2-cyclopropyl-1-octan-4-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 106021293) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-cyclopropyl-1-octan-4-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-1-octan-4-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID106021293
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-cyclopropyl-1-octan-4-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCCC(CCC)n1c(C2CC2)nc2c1CCNC2
InChIInChI=1S/C17H29N3/c1-3-5-7-14(6-4-2)20-16-10-11-18-12-15(16)19-17(20)13-8-9-13/h13-14,18H,3-12H2,1-2H3
InChIKeyQBUPCNVHFMUEMN-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-octan-4-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-cyclopropyl-1-octan-4-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 106021293) is 2-cyclopropyl-1-octan-4-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-cyclopropyl-1-octan-4-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-cyclopropyl-1-octan-4-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCCC(CCC)n1c(C2CC2)nc2c1CCNC2.
What is the InChIKey of 2-cyclopropyl-1-octan-4-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is QBUPCNVHFMUEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-5-7-14(6-4-2)20-16-10-11-18-12-15(16)19-17(20)13-8-9-13/h13-14,18H,3-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-octan-4-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-cyclopropyl-1-octan-4-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 275.44 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-octan-4-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 106021293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).