1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine

C15H30F3N3 — CID 116535297

IUPAC1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C(C)(CN)CCCC(F)(F)F)C1
InChIInChI=1S/C15H30F3N3/c1-4-20(5-2)13-7-10-21(11-13)14(3,12-19)8-6-9-15(16,17)18/h13H,4-12,19H2,1-3H3
InChIKeyAJCPGAMRYQGIFC-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.85
Rot. Bonds8

About 1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine

1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine (PubChem CID 116535297) has the molecular formula C15H30F3N3 and a molecular weight of 309.42 g/mol. Its IUPAC name is 1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine
PubChem CID116535297
Molecular FormulaC15H30F3N3
Molecular Weight309.42 g/mol
Exact Mass309.24
IUPAC Name1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C(C)(CN)CCCC(F)(F)F)C1
InChIInChI=1S/C15H30F3N3/c1-4-20(5-2)13-7-10-21(11-13)14(3,12-19)8-6-9-15(16,17)18/h13H,4-12,19H2,1-3H3
InChIKeyAJCPGAMRYQGIFC-UHFFFAOYSA-N
XLogP2.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine
CID 113493213
N,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine
CID 137379854
6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine
CID 116535108
(3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine
CID 129088258
2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535281
6,6,6-trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine
CID 116535129
2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535294
1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine
CID 80557428
2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
CID 103531540
2-(2,5-dimethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535365
1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol
CID 64820510
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine (CID 116535297) is 1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(C(C)(CN)CCCC(F)(F)F)C1.
What is the InChIKey of 1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is AJCPGAMRYQGIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3N3/c1-4-20(5-2)13-7-10-21(11-13)14(3,12-19)8-6-9-15(16,17)18/h13H,4-12,19H2,1-3H3.
What are the key properties of 1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine?
1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 309.42 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 116535297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).