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

C14H27F3N2 — CID 55051400

IUPACN-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)CC(F)(F)F)CCCCC1
InChIInChI=1S/C14H27F3N2/c1-3-9-18-10-13(7-5-4-6-8-13)11-19(2)12-14(15,16)17/h18H,3-12H2,1-2H3
InChIKeyZWTZSAYZWUQHCJ-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.43
Rot. Bonds7

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

N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 55051400) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
PubChem CID55051400
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC NameN-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)CC(F)(F)F)CCCCC1
InChIInChI=1S/C14H27F3N2/c1-3-9-18-10-13(7-5-4-6-8-13)11-19(2)12-14(15,16)17/h18H,3-12H2,1-2H3
InChIKeyZWTZSAYZWUQHCJ-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine (CID 55051400) is N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine is CCCNCC1(CN(C)CC(F)(F)F)CCCCC1.
What is the InChIKey of N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is ZWTZSAYZWUQHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-3-9-18-10-13(7-5-4-6-8-13)11-19(2)12-14(15,16)17/h18H,3-12H2,1-2H3.
What are the key properties of N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine?
N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 55051400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).