2-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine

C13H25N5O — CID 107053142

IUPAC2-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(Cc2nnn(C)n2)CCCCC1
InChIInChI=1S/C13H25N5O/c1-18-16-12(15-17-18)10-13(6-4-3-5-7-13)11-14-8-9-19-2/h14H,3-11H2,1-2H3
InChIKeyLYNKQSPGWNAESI-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.94
Rot. Bonds7

About 2-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine

2-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine (PubChem CID 107053142) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine
PubChem CID107053142
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(Cc2nnn(C)n2)CCCCC1
InChIInChI=1S/C13H25N5O/c1-18-16-12(15-17-18)10-13(6-4-3-5-7-13)11-14-8-9-19-2/h14H,3-11H2,1-2H3
InChIKeyLYNKQSPGWNAESI-UHFFFAOYSA-N
XLogP0.94
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.94
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-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine (CID 107053142) is 2-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine is COCCNCC1(Cc2nnn(C)n2)CCCCC1.
What is the InChIKey of 2-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine?
The InChIKey is LYNKQSPGWNAESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-18-16-12(15-17-18)10-13(6-4-3-5-7-13)11-14-8-9-19-2/h14H,3-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine?
2-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine has a molecular weight of 267.38 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[(2-methyltetrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 107053142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).