2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C17H32N2 — CID 79944735

IUPAC2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)C1CN2CCCC2CN1C1CCCC1(C)C
InChIInChI=1S/C17H32N2/c1-13(2)15-12-18-10-6-7-14(18)11-19(15)16-8-5-9-17(16,3)4/h13-16H,5-12H2,1-4H3
InChIKeyLQQBUTBLOFDPQO-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.37
Rot. Bonds2

About 2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79944735) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79944735
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)C1CN2CCCC2CN1C1CCCC1(C)C
InChIInChI=1S/C17H32N2/c1-13(2)15-12-18-10-6-7-14(18)11-19(15)16-8-5-9-17(16,3)4/h13-16H,5-12H2,1-4H3
InChIKeyLQQBUTBLOFDPQO-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944515
2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944940
2-(2,2-dimethylcyclopentyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944588
2-(4-ethylcyclohexyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939155
2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926070
2-(2,2-dimethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929028
2-(2-methyloxolan-3-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 82737587
2-pentan-3-yl-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931014
N,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
CID 79937858
9-(2,2-dimethylcyclopentyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 79879064
2-(cyclobutylmethyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939740
2-(2,2-difluoroethyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 115408821

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79944735) is 2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CC(C)C1CN2CCCC2CN1C1CCCC1(C)C.
What is the InChIKey of 2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is LQQBUTBLOFDPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-13(2)15-12-18-10-6-7-14(18)11-19(15)16-8-5-9-17(16,3)4/h13-16H,5-12H2,1-4H3.
What are the key properties of 2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 264.46 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79944735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).