2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline

C15H21N5O — CID 61354470

IUPAC2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline
SMILESCOc1ccc(N)c(-c2nnnn2C2CCCCCC2)c1
InChIInChI=1S/C15H21N5O/c1-21-12-8-9-14(16)13(10-12)15-17-18-19-20(15)11-6-4-2-3-5-7-11/h8-11H,2-7,16H2,1H3
InChIKeyYWUNMZULUUMCNK-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.83
Rot. Bonds3

About 2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline

2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline (PubChem CID 61354470) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline.

Molecular Properties

Compound Name2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline
PubChem CID61354470
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline
SMILESCOc1ccc(N)c(-c2nnnn2C2CCCCCC2)c1
InChIInChI=1S/C15H21N5O/c1-21-12-8-9-14(16)13(10-12)15-17-18-19-20(15)11-6-4-2-3-5-7-11/h8-11H,2-7,16H2,1H3
InChIKeyYWUNMZULUUMCNK-UHFFFAOYSA-N
XLogP2.83
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 649149
CID 649149
CID 46397968
CID 46397968
CID 16013961
CID 16013961
CID 69602208
CID 69602208
CID 90104396
CID 90104396
CID 61351407
CID 61351407
CID 61352043
CID 61352043
CID 61352442
CID 61352442
CID 61352478
CID 61352478
CID 61352694
CID 61352694
CID 61352825
CID 61352825
CID 61352875
CID 61352875

Frequently Asked Questions

What is the IUPAC name of 2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline?
The IUPAC name of 2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline (CID 61354470) is 2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline.
What is the SMILES notation for 2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline?
The canonical SMILES for 2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline is COc1ccc(N)c(-c2nnnn2C2CCCCCC2)c1.
What is the InChIKey of 2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline?
The InChIKey is YWUNMZULUUMCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-21-12-8-9-14(16)13(10-12)15-17-18-19-20(15)11-6-4-2-3-5-7-11/h8-11H,2-7,16H2,1H3.
What are the key properties of 2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline?
2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline has a molecular weight of 287.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline is sourced from PubChem (CID 61354470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).