2-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline

C15H21N5 — CID 63243875

IUPAC2-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline
SMILESCC1CCC(Cn2nnnc2-c2ccccc2N)CC1
InChIInChI=1S/C15H21N5/c1-11-6-8-12(9-7-11)10-20-15(17-18-19-20)13-4-2-3-5-14(13)16/h2-5,11-12H,6-10,16H2,1H3
InChIKeyVHXHIXSLCRNKEI-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.75
Rot. Bonds3

About 2-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline

2-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline (PubChem CID 63243875) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline
PubChem CID63243875
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline
SMILESCC1CCC(Cn2nnnc2-c2ccccc2N)CC1
InChIInChI=1S/C15H21N5/c1-11-6-8-12(9-7-11)10-20-15(17-18-19-20)13-4-2-3-5-14(13)16/h2-5,11-12H,6-10,16H2,1H3
InChIKeyVHXHIXSLCRNKEI-UHFFFAOYSA-N
XLogP2.75
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 2-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline (CID 63243875) is 2-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 2-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 2-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline is CC1CCC(Cn2nnnc2-c2ccccc2N)CC1.
What is the InChIKey of 2-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline?
The InChIKey is VHXHIXSLCRNKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-6-8-12(9-7-11)10-20-15(17-18-19-20)13-4-2-3-5-14(13)16/h2-5,11-12H,6-10,16H2,1H3.
What are the key properties of 2-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline?
2-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline has a molecular weight of 271.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 63243875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).