3-propan-2-yl-2-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C13H22N2 — CID 79939678

IUPAC3-propan-2-yl-2-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC#CCN1CC2CCCN2CC1C(C)C
InChIInChI=1S/C13H22N2/c1-4-7-15-9-12-6-5-8-14(12)10-13(15)11(2)3/h1,11-13H,5-10H2,2-3H3
InChIKeyXIYYASZQBGZUBI-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.42
Rot. Bonds2

About 3-propan-2-yl-2-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

3-propan-2-yl-2-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79939678) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-propan-2-yl-2-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-propan-2-yl-2-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79939678
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-propan-2-yl-2-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC#CCN1CC2CCCN2CC1C(C)C
InChIInChI=1S/C13H22N2/c1-4-7-15-9-12-6-5-8-14(12)10-13(15)11(2)3/h1,11-13H,5-10H2,2-3H3
InChIKeyXIYYASZQBGZUBI-UHFFFAOYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(cyclobutylmethyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939740
2-(cyclopentylmethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926542
2-(2,2-difluoroethyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 115408821
2-butyl-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926630
2-hexyl-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939805
2-pent-1-yn-3-yl-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 114160540
2-(oxan-4-ylmethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926700
2-[(4-methylphenyl)methyl]-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931442
3-propan-2-yl-2-(4-propan-2-yloxybutyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 106008806
3-propan-2-yl-2-(thiophen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939527
2-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926100
2-[(2-bromophenyl)methyl]-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939682

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-propan-2-yl-2-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79939678) is 3-propan-2-yl-2-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-propan-2-yl-2-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-propan-2-yl-2-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is C#CCN1CC2CCCN2CC1C(C)C.
What is the InChIKey of 3-propan-2-yl-2-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is XIYYASZQBGZUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-7-15-9-12-6-5-8-14(12)10-13(15)11(2)3/h1,11-13H,5-10H2,2-3H3.
What are the key properties of 3-propan-2-yl-2-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
3-propan-2-yl-2-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 206.33 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-prop-2-ynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79939678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).