1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine

C15H21N5O — CID 30312238

IUPAC1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
SMILESCOc1ccccc1-n1nnnc1C1(N)CCC(C)CC1
InChIInChI=1S/C15H21N5O/c1-11-7-9-15(16,10-8-11)14-17-18-19-20(14)12-5-3-4-6-13(12)21-2/h3-6,11H,7-10,16H2,1-2H3
InChIKeyCVZBZJMPFOKMIR-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.04
Rot. Bonds3

About 1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine

1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine (PubChem CID 30312238) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
PubChem CID30312238
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
SMILESCOc1ccccc1-n1nnnc1C1(N)CCC(C)CC1
InChIInChI=1S/C15H21N5O/c1-11-7-9-15(16,10-8-11)14-17-18-19-20(14)12-5-3-4-6-13(12)21-2/h3-6,11H,7-10,16H2,1-2H3
InChIKeyCVZBZJMPFOKMIR-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
CID 30314584
ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
CID 30313814
1-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-1,3-dimethylurea
CID 30313624
2-methoxy-N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylacetamide
CID 30313473
1-(2-methoxyphenyl)-4-methylcyclohexan-1-amine
CID 60793795
methyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30310660
ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
CID 30310135
1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine
CID 65081298
methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30313762
methyl 2-[5-[1-[(2-ethoxy-2-oxoethyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30312689
5-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-1-(2-methoxyphenyl)tetrazole
CID 41075430
methyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30313787

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine (CID 30312238) is 1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine is COc1ccccc1-n1nnnc1C1(N)CCC(C)CC1.
What is the InChIKey of 1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine?
The InChIKey is CVZBZJMPFOKMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-7-9-15(16,10-8-11)14-17-18-19-20(14)12-5-3-4-6-13(12)21-2/h3-6,11H,7-10,16H2,1-2H3.
What are the key properties of 1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine?
1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 30312238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).