2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

C14H22N2 — CID 96609619

IUPAC2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCN1CCc2[nH]c(C3CCCCC3)cc2C1
InChIInChI=1S/C14H22N2/c1-16-8-7-13-12(10-16)9-14(15-13)11-5-3-2-4-6-11/h9,11,15H,2-8,10H2,1H3
InChIKeyHHBKTFUUKYISMY-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.05
Rot. Bonds1

About 2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 96609619) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID96609619
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCN1CCc2[nH]c(C3CCCCC3)cc2C1
InChIInChI=1S/C14H22N2/c1-16-8-7-13-12(10-16)9-14(15-13)11-5-3-2-4-6-11/h9,11,15H,2-8,10H2,1H3
InChIKeyHHBKTFUUKYISMY-UHFFFAOYSA-N
XLogP3.05
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 96609619) is 2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is CN1CCc2[nH]c(C3CCCCC3)cc2C1.
What is the InChIKey of 2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is HHBKTFUUKYISMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16-8-7-13-12(10-16)9-14(15-13)11-5-3-2-4-6-11/h9,11,15H,2-8,10H2,1H3.
What are the key properties of 2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 218.34 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 96609619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).