N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline

C24H29N5O2 — CID 30312545

IUPACN-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline
SMILESCc1ccc(NC2(c3nnnn3-c3ccc4c(c3)OCCO4)CCC(C)CC2)c(C)c1
InChIInChI=1S/C24H29N5O2/c1-16-8-10-24(11-9-16,25-20-6-4-17(2)14-18(20)3)23-26-27-28-29(23)19-5-7-21-22(15-19)31-13-12-30-21/h4-7,14-16,25H,8-13H2,1-3H3
InChIKeyWDZPMOXZUIPGLY-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.57
Rot. Bonds4

About N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline

N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline (PubChem CID 30312545) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline
PubChem CID30312545
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline
SMILESCc1ccc(NC2(c3nnnn3-c3ccc4c(c3)OCCO4)CCC(C)CC2)c(C)c1
InChIInChI=1S/C24H29N5O2/c1-16-8-10-24(11-9-16,25-20-6-4-17(2)14-18(20)3)23-26-27-28-29(23)19-5-7-21-22(15-19)31-13-12-30-21/h4-7,14-16,25H,8-13H2,1-3H3
InChIKeyWDZPMOXZUIPGLY-UHFFFAOYSA-N
XLogP4.57
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[4-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 50812217
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methylaniline
CID 30314783
methyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
CID 30313782
3-bromo-4-methyl-N-[4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 3560575
N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312310
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline
CID 30314832
1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine
CID 30314136
N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline
CID 30312378
N,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine
CID 30314222
ethyl 4-[5-[4-methyl-1-(4-methylanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312316
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide
CID 30313030
N-methyl-N-[4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30313406

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline?
The IUPAC name of N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline (CID 30312545) is N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline?
The canonical SMILES for N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline is Cc1ccc(NC2(c3nnnn3-c3ccc4c(c3)OCCO4)CCC(C)CC2)c(C)c1.
What is the InChIKey of N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline?
The InChIKey is WDZPMOXZUIPGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-8-10-24(11-9-16,25-20-6-4-17(2)14-18(20)3)23-26-27-28-29(23)19-5-7-21-22(15-19)31-13-12-30-21/h4-7,14-16,25H,8-13H2,1-3H3.
What are the key properties of N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline?
N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline has a molecular weight of 419.53 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline is sourced from PubChem (CID 30312545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).