N-(2-methoxyethyl)-1-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]ethanamine

C9H16F3N5O — CID 103086129

IUPACN-(2-methoxyethyl)-1-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]ethanamine
SMILESCOCCNC(C)c1nnnn1CCC(F)(F)F
InChIInChI=1S/C9H16F3N5O/c1-7(13-4-6-18-2)8-14-15-16-17(8)5-3-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyBHFHAWJABZXZEM-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.92
Rot. Bonds7

About N-(2-methoxyethyl)-1-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]ethanamine

N-(2-methoxyethyl)-1-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]ethanamine (PubChem CID 103086129) has the molecular formula C9H16F3N5O and a molecular weight of 267.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]ethanamine
PubChem CID103086129
Molecular FormulaC9H16F3N5O
Molecular Weight267.25 g/mol
Exact Mass267.13
IUPAC NameN-(2-methoxyethyl)-1-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]ethanamine
SMILESCOCCNC(C)c1nnnn1CCC(F)(F)F
InChIInChI=1S/C9H16F3N5O/c1-7(13-4-6-18-2)8-14-15-16-17(8)5-3-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyBHFHAWJABZXZEM-UHFFFAOYSA-N
XLogP0.92
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-1-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-1-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]ethanamine (CID 103086129) is N-(2-methoxyethyl)-1-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-1-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]ethanamine is COCCNC(C)c1nnnn1CCC(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-1-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]ethanamine?
The InChIKey is BHFHAWJABZXZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N5O/c1-7(13-4-6-18-2)8-14-15-16-17(8)5-3-9(10,11)12/h7,13H,3-6H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]ethanamine?
N-(2-methoxyethyl)-1-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]ethanamine has a molecular weight of 267.25 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103086129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).