2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine

C16H31N3 — CID 79938659

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(N2CCN3CCCC3C2)C1
InChIInChI=1S/C16H31N3/c1-12(2)13-5-6-15(17)16(10-13)19-9-8-18-7-3-4-14(18)11-19/h12-16H,3-11,17H2,1-2H3
InChIKeyVISDITVHUHWGMB-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.92
Rot. Bonds2

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

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 79938659) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID79938659
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(N2CCN3CCCC3C2)C1
InChIInChI=1S/C16H31N3/c1-12(2)13-5-6-15(17)16(10-13)19-9-8-18-7-3-4-14(18)11-19/h12-16H,3-11,17H2,1-2H3
InChIKeyVISDITVHUHWGMB-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine with MolForge

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Related Compounds

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79934726
4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine
CID 114537762
2-(4-cyclopentylpiperazin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62708468
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine
CID 79938355
1-(3-propan-2-ylcyclohexyl)piperidin-3-amine
CID 107449487
3-(4-propan-2-ylazepan-1-yl)cyclobutan-1-amine
CID 80561615
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
(8aS)-N-[(1S)-1-cyclopropylethyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 129461274
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79914133
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79174564
ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 145315776
1-cycloheptyl-3-propan-2-ylpiperidine
CID 163393179

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine (CID 79938659) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(N2CCN3CCCC3C2)C1.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is VISDITVHUHWGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-12(2)13-5-6-15(17)16(10-13)19-9-8-18-7-3-4-14(18)11-19/h12-16H,3-11,17H2,1-2H3.
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 79938659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).