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

C11H20F3N5O — CID 103086201

IUPAC2-methyl-N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethyl]propan-1-amine
SMILESCC(C)CNC(C)c1nnnn1CCOCC(F)(F)F
InChIInChI=1S/C11H20F3N5O/c1-8(2)6-15-9(3)10-16-17-18-19(10)4-5-20-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeySHGSOVSKEULTTN-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.56
Rot. Bonds8

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

2-methyl-N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103086201) has the molecular formula C11H20F3N5O and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-methyl-N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103086201
Molecular FormulaC11H20F3N5O
Molecular Weight295.31 g/mol
Exact Mass295.16
IUPAC Name2-methyl-N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethyl]propan-1-amine
SMILESCC(C)CNC(C)c1nnnn1CCOCC(F)(F)F
InChIInChI=1S/C11H20F3N5O/c1-8(2)6-15-9(3)10-16-17-18-19(10)4-5-20-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeySHGSOVSKEULTTN-UHFFFAOYSA-N
XLogP1.56
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.56
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-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethyl]propan-1-amine (CID 103086201) is 2-methyl-N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethyl]propan-1-amine is CC(C)CNC(C)c1nnnn1CCOCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is SHGSOVSKEULTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N5O/c1-8(2)6-15-9(3)10-16-17-18-19(10)4-5-20-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethyl]propan-1-amine?
2-methyl-N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 295.31 g/mol, XLogP of 1.56, 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-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103086201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).