1-hexan-3-yl-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C15H27N3 — CID 64857342

IUPAC1-hexan-3-yl-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCC(CC)n1c(C(C)C)nc2c1CCNC2
InChIInChI=1S/C15H27N3/c1-5-7-12(6-2)18-14-8-9-16-10-13(14)17-15(18)11(3)4/h11-12,16H,5-10H2,1-4H3
InChIKeyMTFHUGWFSHGVCR-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.40
Rot. Bonds5

About 1-hexan-3-yl-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-hexan-3-yl-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857342) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-hexan-3-yl-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-hexan-3-yl-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857342
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-hexan-3-yl-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCC(CC)n1c(C(C)C)nc2c1CCNC2
InChIInChI=1S/C15H27N3/c1-5-7-12(6-2)18-14-8-9-16-10-13(14)17-15(18)11(3)4/h11-12,16H,5-10H2,1-4H3
InChIKeyMTFHUGWFSHGVCR-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-hexan-3-yl-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857342) is 1-hexan-3-yl-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-hexan-3-yl-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-hexan-3-yl-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCC(CC)n1c(C(C)C)nc2c1CCNC2.
What is the InChIKey of 1-hexan-3-yl-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is MTFHUGWFSHGVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-7-12(6-2)18-14-8-9-16-10-13(14)17-15(18)11(3)4/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 1-hexan-3-yl-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-hexan-3-yl-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 249.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).