1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine

C12H25N5O — CID 103085593

IUPAC1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
SMILESCCCCC(C)n1nnnc1C(C)NCCOC
InChIInChI=1S/C12H25N5O/c1-5-6-7-10(2)17-12(14-15-16-17)11(3)13-8-9-18-4/h10-11,13H,5-9H2,1-4H3
InChIKeyGMOJQPCPHHWDGN-UHFFFAOYSA-N
MW255.37 g/mol
LogP1.72
Rot. Bonds9

About 1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine

1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 103085593) has the molecular formula C12H25N5O and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID103085593
Molecular FormulaC12H25N5O
Molecular Weight255.37 g/mol
Exact Mass255.21
IUPAC Name1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
SMILESCCCCC(C)n1nnnc1C(C)NCCOC
InChIInChI=1S/C12H25N5O/c1-5-6-7-10(2)17-12(14-15-16-17)11(3)13-8-9-18-4/h10-11,13H,5-9H2,1-4H3
InChIKeyGMOJQPCPHHWDGN-UHFFFAOYSA-N
XLogP1.72
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine
CID 103085937
1-(1-ethyltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085409
N-methyl-1-(1-pentan-2-yltetrazol-5-yl)ethanamine
CID 103085322
N-(2-methoxyethyl)-1-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]ethanamine
CID 103086509
1-[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085805
N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine
CID 103086393
N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086242
N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086942
N-(2-methoxyethyl)-1-[1-(3-phenylpropyl)tetrazol-5-yl]ethanamine
CID 103085538
N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine
CID 103087012
N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085783
1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 107794145

Frequently Asked Questions

What is the IUPAC name of 1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine (CID 103085593) is 1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine is CCCCC(C)n1nnnc1C(C)NCCOC.
What is the InChIKey of 1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is GMOJQPCPHHWDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O/c1-5-6-7-10(2)17-12(14-15-16-17)11(3)13-8-9-18-4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine?
1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 255.37 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 103085593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).