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

C18H33N3 — CID 64858543

IUPAC2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCCCCC(C)n1c(C(C)(C)C)nc2c1CCNC2
InChIInChI=1S/C18H33N3/c1-6-7-8-9-10-14(2)21-16-11-12-19-13-15(16)20-17(21)18(3,4)5/h14,19H,6-13H2,1-5H3
InChIKeyYESSEUZEKXULKA-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.36
Rot. Bonds6

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

2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64858543) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64858543
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCCCCC(C)n1c(C(C)(C)C)nc2c1CCNC2
InChIInChI=1S/C18H33N3/c1-6-7-8-9-10-14(2)21-16-11-12-19-13-15(16)20-17(21)18(3,4)5/h14,19H,6-13H2,1-5H3
InChIKeyYESSEUZEKXULKA-UHFFFAOYSA-N
XLogP4.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-pentan-2-yl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858976
1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859159
N,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine
CID 64857107
2-cyclopropyl-1-octan-4-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 106021293
2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857299
1-(1-ethoxypropan-2-yl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858742
2-cyclohexyl-1-(4-methoxybutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857620
2-ethyl-1-(2-methylpentan-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857955
2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857874
2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856415
2-(2-methylpropyl)-1-(1-pyrrolidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858954
3-nonan-2-yl-1,3-oxazetidine
CID 134510422

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64858543) is 2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCCCCC(C)n1c(C(C)(C)C)nc2c1CCNC2.
What is the InChIKey of 2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is YESSEUZEKXULKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-7-8-9-10-14(2)21-16-11-12-19-13-15(16)20-17(21)18(3,4)5/h14,19H,6-13H2,1-5H3.
What are the key properties of 2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 291.48 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64858543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).