1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C18H33N3 — CID 64859159

IUPAC1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)CCCC(C)n1c(CC(C)C)nc2c1CCNC2
InChIInChI=1S/C18H33N3/c1-13(2)7-6-8-15(5)21-17-9-10-19-12-16(17)20-18(21)11-14(3)4/h13-15,19H,6-12H2,1-5H3
InChIKeyYRMWWBVQYZGCLK-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.11
Rot. Bonds7

About 1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64859159) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64859159
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)CCCC(C)n1c(CC(C)C)nc2c1CCNC2
InChIInChI=1S/C18H33N3/c1-13(2)7-6-8-15(5)21-17-9-10-19-12-16(17)20-18(21)11-14(3)4/h13-15,19H,6-12H2,1-5H3
InChIKeyYRMWWBVQYZGCLK-UHFFFAOYSA-N
XLogP4.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64859159) is 1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C)CCCC(C)n1c(CC(C)C)nc2c1CCNC2.
What is the InChIKey of 1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is YRMWWBVQYZGCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-13(2)7-6-8-15(5)21-17-9-10-19-12-16(17)20-18(21)11-14(3)4/h13-15,19H,6-12H2,1-5H3.
What are the key properties of 1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 291.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylheptan-2-yl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64859159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).