N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline

C23H29N5 — CID 30314832

IUPACN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline
SMILESCc1cccc(NC2(c3nnnn3-c3c(C)cccc3C)CCC(C)CC2)c1
InChIInChI=1S/C23H29N5/c1-16-11-13-23(14-12-16,24-20-10-5-7-17(2)15-20)22-25-26-27-28(22)21-18(3)8-6-9-19(21)4/h5-10,15-16,24H,11-14H2,1-4H3
InChIKeyKSDHNVKAALCKFW-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.11
Rot. Bonds4

About N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline

N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline (PubChem CID 30314832) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline.

Molecular Properties

Compound NameN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline
PubChem CID30314832
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC NameN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline
SMILESCc1cccc(NC2(c3nnnn3-c3c(C)cccc3C)CCC(C)CC2)c1
InChIInChI=1S/C23H29N5/c1-16-11-13-23(14-12-16,24-20-10-5-7-17(2)15-20)22-25-26-27-28(22)21-18(3)8-6-9-19(21)4/h5-10,15-16,24H,11-14H2,1-4H3
InChIKeyKSDHNVKAALCKFW-UHFFFAOYSA-N
XLogP5.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine
CID 30314444
2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 50812217
3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312170
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline
CID 605453
3-bromo-4-methyl-N-[4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 3560575
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-(trifluoromethyl)aniline
CID 50812642
4-bromo-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 2829520
3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312166
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2,2,2-trifluoroacetamide
CID 56694248
3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate
CID 8022850
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312342
1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole
CID 30313940

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline?
The IUPAC name of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline (CID 30314832) is N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline.
What is the SMILES notation for N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline?
The canonical SMILES for N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline is Cc1cccc(NC2(c3nnnn3-c3c(C)cccc3C)CCC(C)CC2)c1.
What is the InChIKey of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline?
The InChIKey is KSDHNVKAALCKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-16-11-13-23(14-12-16,24-20-10-5-7-17(2)15-20)22-25-26-27-28(22)21-18(3)8-6-9-19(21)4/h5-10,15-16,24H,11-14H2,1-4H3.
What are the key properties of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline?
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline has a molecular weight of 375.52 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline is sourced from PubChem (CID 30314832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).