2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine

C14H27F3N2 — CID 55051352

IUPAC2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CN(C)CC(F)(F)F)CCCC1
InChIInChI=1S/C14H27F3N2/c1-12(2)8-18-9-13(6-4-5-7-13)10-19(3)11-14(15,16)17/h12,18H,4-11H2,1-3H3
InChIKeyXGBBSKKBKUTCDU-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.29
Rot. Bonds7

About 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine

2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine (PubChem CID 55051352) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
PubChem CID55051352
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CN(C)CC(F)(F)F)CCCC1
InChIInChI=1S/C14H27F3N2/c1-12(2)8-18-9-13(6-4-5-7-13)10-19(3)11-14(15,16)17/h12,18H,4-11H2,1-3H3
InChIKeyXGBBSKKBKUTCDU-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Methylpropyl)-3-(trifluoromethyl)pyrrolidine
CID 83685670
3-(1,1-Difluoropropyl)-3-ethylpyrrolidine
CID 88977973
N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine
CID 89380839
N-[(3,3-difluorocyclopentyl)methyl]ethanamine
CID 126974524
N-(2,2-difluoroethyl)-4,4-dimethylhexan-1-amine
CID 129033935
4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
CID 129033941
(5S)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane
CID 129230060
6,6-Difluoro-2-methyl-2,9-diazaspiro[4.5]decane
CID 129230219
(5R)-6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane
CID 129230744
(5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane
CID 129237633
N-[(3,3-difluorocyclopentyl)methyl]propan-2-amine
CID 130477526
(5S)-6,6-difluoro-2-pentyl-2,9-diazaspiro[4.5]decane
CID 146362021

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine (CID 55051352) is 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine is CC(C)CNCC1(CN(C)CC(F)(F)F)CCCC1.
What is the InChIKey of 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The InChIKey is XGBBSKKBKUTCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-12(2)8-18-9-13(6-4-5-7-13)10-19(3)11-14(15,16)17/h12,18H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 55051352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).