1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine

C15H21N5O — CID 50812701

IUPAC1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine
SMILESCNC1(c2nnnn2-c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C15H21N5O/c1-16-15(10-4-3-5-11-15)14-17-18-19-20(14)12-6-8-13(21-2)9-7-12/h6-9,16H,3-5,10-11H2,1-2H3
InChIKeyUUYLHHCCKQEONQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.05
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine

1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine (PubChem CID 50812701) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine
PubChem CID50812701
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine
SMILESCNC1(c2nnnn2-c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C15H21N5O/c1-16-15(10-4-3-5-11-15)14-17-18-19-20(14)12-6-8-13(21-2)9-7-12/h6-9,16H,3-5,10-11H2,1-2H3
InChIKeyUUYLHHCCKQEONQ-UHFFFAOYSA-N
XLogP2.05
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine?
The IUPAC name of 1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine (CID 50812701) is 1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine is CNC1(c2nnnn2-c2ccc(OC)cc2)CCCCC1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine?
The InChIKey is UUYLHHCCKQEONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-16-15(10-4-3-5-11-15)14-17-18-19-20(14)12-6-8-13(21-2)9-7-12/h6-9,16H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine?
1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 50812701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).