6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

C17H32N2 — CID 102678237

IUPAC6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCC1CCC(C(C)C)C(N2CC3CCCNC3C2)C1
InChIInChI=1S/C17H32N2/c1-12(2)15-7-6-13(3)9-17(15)19-10-14-5-4-8-18-16(14)11-19/h12-18H,4-11H2,1-3H3
InChIKeyANNYSFCYHHFJGZ-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.13
Rot. Bonds2

About 6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 102678237) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID102678237
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCC1CCC(C(C)C)C(N2CC3CCCNC3C2)C1
InChIInChI=1S/C17H32N2/c1-12(2)15-7-6-13(3)9-17(15)19-10-14-5-4-8-18-16(14)11-19/h12-18H,4-11H2,1-3H3
InChIKeyANNYSFCYHHFJGZ-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine with MolForge

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Related Compounds

3,5-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)piperazine
CID 63863678
(4aS,7aS)-6-(2-tert-butylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678760
6-(2-methyloxolan-3-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678414
6-(3,4-dimethylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678314
6-cyclobutyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678458
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678711
N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)pyrrolidin-3-amine
CID 115300000
6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride
CID 155858923
(4aS,7aS)-6-(3-cyclopropylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103887131
6-(3-cyclopropylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678719
6-(thian-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678235
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678482

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 102678237) is 6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is CC1CCC(C(C)C)C(N2CC3CCCNC3C2)C1.
What is the InChIKey of 6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is ANNYSFCYHHFJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-12(2)15-7-6-13(3)9-17(15)19-10-14-5-4-8-18-16(14)11-19/h12-18H,4-11H2,1-3H3.
What are the key properties of 6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 264.46 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 102678237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).