1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine

C18H27N5 — CID 30314444

IUPAC1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1(c2nnnn2-c2c(C)cccc2C)CCC(C)CC1
InChIInChI=1S/C18H27N5/c1-5-19-18(11-9-13(2)10-12-18)17-20-21-22-23(17)16-14(3)7-6-8-15(16)4/h6-8,13,19H,5,9-12H2,1-4H3
InChIKeyZHXQCVDBMCJNDS-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.29
Rot. Bonds4

About 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine

1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 30314444) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID30314444
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1(c2nnnn2-c2c(C)cccc2C)CCC(C)CC1
InChIInChI=1S/C18H27N5/c1-5-19-18(11-9-13(2)10-12-18)17-20-21-22-23(17)16-14(3)7-6-8-15(16)4/h6-8,13,19H,5,9-12H2,1-4H3
InChIKeyZHXQCVDBMCJNDS-UHFFFAOYSA-N
XLogP3.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline
CID 30314832
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2,2,2-trifluoroacetamide
CID 56694248
1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole
CID 30313940
2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine
CID 11836199
1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine
CID 30314136
ethyl N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
CID 30313837
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methoxy-N-methylacetamide
CID 30313505
2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 50812217
ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate
CID 30312714
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methylaniline
CID 30314783
N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
CID 30314584
4-bromo-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 2829520

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine (CID 30314444) is 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine is CCNC1(c2nnnn2-c2c(C)cccc2C)CCC(C)CC1.
What is the InChIKey of 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is ZHXQCVDBMCJNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-5-19-18(11-9-13(2)10-12-18)17-20-21-22-23(17)16-14(3)7-6-8-15(16)4/h6-8,13,19H,5,9-12H2,1-4H3.
What are the key properties of 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine?
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 313.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 30314444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).