2-methyl-N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine

C14H24F3N — CID 64757641

IUPAC2-methyl-N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CC12CCCC(C(F)(F)F)C2
InChIInChI=1S/C14H24F3N/c1-12(2,3)18-9-11-8-13(11)6-4-5-10(7-13)14(15,16)17/h10-11,18H,4-9H2,1-3H3
InChIKeyXSBJVQNBCVDNHV-UHFFFAOYSA-N
MW263.35 g/mol
LogP4.13
Rot. Bonds2

About 2-methyl-N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine

2-methyl-N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine (PubChem CID 64757641) has the molecular formula C14H24F3N and a molecular weight of 263.35 g/mol. Its IUPAC name is 2-methyl-N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine
PubChem CID64757641
Molecular FormulaC14H24F3N
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name2-methyl-N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CC12CCCC(C(F)(F)F)C2
InChIInChI=1S/C14H24F3N/c1-12(2,3)18-9-11-8-13(11)6-4-5-10(7-13)14(15,16)17/h10-11,18H,4-9H2,1-3H3
InChIKeyXSBJVQNBCVDNHV-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 29051448
4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine
CID 58818490
4,4-difluoro-N-methyl-1-propan-2-ylcyclohexan-1-amine
CID 89243992
1-(4-fluorocyclohexyl)-N-propan-2-ylcyclopropan-1-amine
CID 89751766
N-[(3-ethylcyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 104463826
4-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine
CID 115405621
4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine
CID 121451380
2-ethyl-1-(6-fluoro-2-methylheptyl)-N,2-dimethylcyclopropan-1-amine
CID 123748191
2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)heptan-1-amine
CID 126694485
2-butan-2-yl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
CID 126694971
1-(4,4-difluorocyclohexyl)-N-methylcyclopropan-1-amine
CID 134421417
2-Tert-butyl-3,6-dimethyl-4-(trifluoromethyl)piperidine
CID 141872702

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine (CID 64757641) is 2-methyl-N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine is CC(C)(C)NCC1CC12CCCC(C(F)(F)F)C2.
What is the InChIKey of 2-methyl-N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine?
The InChIKey is XSBJVQNBCVDNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N/c1-12(2,3)18-9-11-8-13(11)6-4-5-10(7-13)14(15,16)17/h10-11,18H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine?
2-methyl-N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine has a molecular weight of 263.35 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[7-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 64757641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).