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

C15H28F3N3 — CID 116535380

IUPAC6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine
SMILESCC1CN2CCCC2CN1C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C15H28F3N3/c1-12-9-20-8-3-5-13(20)10-21(12)14(2,11-19)6-4-7-15(16,17)18/h12-13H,3-11,19H2,1-2H3
InChIKeyBKGBVDGCAHPDOS-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.60
Rot. Bonds5

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

6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine (PubChem CID 116535380) has the molecular formula C15H28F3N3 and a molecular weight of 307.40 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine
PubChem CID116535380
Molecular FormulaC15H28F3N3
Molecular Weight307.40 g/mol
Exact Mass307.22
IUPAC Name6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine
SMILESCC1CN2CCCC2CN1C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C15H28F3N3/c1-12-9-20-8-3-5-13(20)10-21(12)14(2,11-19)6-4-7-15(16,17)18/h12-13H,3-11,19H2,1-2H3
InChIKeyBKGBVDGCAHPDOS-UHFFFAOYSA-N
XLogP2.60
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine
CID 79930355
2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535365
3-methyl-2-(2-methylbutan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931346
2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79941209
3-methyl-2-(2-methylbut-3-yn-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939266
6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine
CID 116535108
1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine
CID 116535297
1-amino-2-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentan-2-ol
CID 79937647
6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine
CID 116535129
1-amino-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-ol
CID 79924930
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine
CID 79943167
2-amino-3,3,3-trifluoro-2-methyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
CID 79938842

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine (CID 116535380) is 6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine is CC1CN2CCCC2CN1C(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine?
The InChIKey is BKGBVDGCAHPDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3/c1-12-9-20-8-3-5-13(20)10-21(12)14(2,11-19)6-4-7-15(16,17)18/h12-13H,3-11,19H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine?
6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine is sourced from PubChem (CID 116535380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).