2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine

C10H18F3N5O — CID 63827946

IUPAC2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnnn1CCOCC(F)(F)F
InChIInChI=1S/C10H18F3N5O/c1-8(2)5-14-6-9-15-16-17-18(9)3-4-19-7-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyWOFJKWQXPLVNND-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.00
Rot. Bonds8

About 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine

2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 63827946) has the molecular formula C10H18F3N5O and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine
PubChem CID63827946
Molecular FormulaC10H18F3N5O
Molecular Weight281.28 g/mol
Exact Mass281.15
IUPAC Name2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnnn1CCOCC(F)(F)F
InChIInChI=1S/C10H18F3N5O/c1-8(2)5-14-6-9-15-16-17-18(9)3-4-19-7-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyWOFJKWQXPLVNND-UHFFFAOYSA-N
XLogP1.00
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine (CID 63827946) is 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine is CC(C)CNCc1nnnn1CCOCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is WOFJKWQXPLVNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N5O/c1-8(2)5-14-6-9-15-16-17-18(9)3-4-19-7-10(11,12)13/h8,14H,3-7H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 281.28 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 63827946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).