3-cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine

C14H26N2 — CID 130220296

IUPAC3-cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine
SMILESCN1CCCC2C1N(C)CC2(C)C1CCC1
InChIInChI=1S/C14H26N2/c1-14(11-6-4-7-11)10-16(3)13-12(14)8-5-9-15(13)2/h11-13H,4-10H2,1-3H3
InChIKeyJROZMNUAQBYPAE-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.41
Rot. Bonds1

About 3-cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine

3-cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine (PubChem CID 130220296) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 3-cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine
PubChem CID130220296
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name3-cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine
SMILESCN1CCCC2C1N(C)CC2(C)C1CCC1
InChIInChI=1S/C14H26N2/c1-14(11-6-4-7-11)10-16(3)13-12(14)8-5-9-15(13)2/h11-13H,4-10H2,1-3H3
InChIKeyJROZMNUAQBYPAE-UHFFFAOYSA-N
XLogP2.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine?
The IUPAC name of 3-cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine (CID 130220296) is 3-cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine is CN1CCCC2C1N(C)CC2(C)C1CCC1.
What is the InChIKey of 3-cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine?
The InChIKey is JROZMNUAQBYPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-14(11-6-4-7-11)10-16(3)13-12(14)8-5-9-15(13)2/h11-13H,4-10H2,1-3H3.
What are the key properties of 3-cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine?
3-cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine has a molecular weight of 222.38 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1,3,7-trimethyl-2,3a,4,5,6,7a-hexahydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 130220296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).