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

C12H26N2 — CID 161281609

IUPAC(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane
SMILESCC.CC(C)N1CCN2CCC[C@@H]2C1
InChIInChI=1S/C10H20N2.C2H6/c1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-2/h9-10H,3-8H2,1-2H3;1-2H3/t10-;/m1./s1
InChIKeyVFDXTYKCMZRSPL-HNCPQSOCSA-N
MW198.35 g/mol
LogP2.20
Rot. Bonds1

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

(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane (PubChem CID 161281609) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane.

Molecular Properties

Compound Name(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane
PubChem CID161281609
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane
SMILESCC.CC(C)N1CCN2CCC[C@@H]2C1
InChIInChI=1S/C10H20N2.C2H6/c1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-2/h9-10H,3-8H2,1-2H3;1-2H3/t10-;/m1./s1
InChIKeyVFDXTYKCMZRSPL-HNCPQSOCSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 145315776
ethane;methane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 160550613
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanethiol
CID 166817734
2-(3-ethylpentan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939262
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanethioamide
CID 79937889
2-(6-methylheptan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939156
1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine
CID 126892268
2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 104830147

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane?
The IUPAC name of (8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane (CID 161281609) is (8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane.
What is the SMILES notation for (8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane?
The canonical SMILES for (8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane is CC.CC(C)N1CCN2CCC[C@@H]2C1.
What is the InChIKey of (8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane?
The InChIKey is VFDXTYKCMZRSPL-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H20N2.C2H6/c1-9(2)12-7-6-11-5-3-4-10(11)8-12;1-2/h9-10H,3-8H2,1-2H3;1-2H3/t10-;/m1./s1.
What are the key properties of (8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane?
(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane has a molecular weight of 198.35 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane is sourced from PubChem (CID 161281609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).