1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine

C18H27N5 — CID 3508864

IUPAC1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
SMILESCCc1cccc(C)c1-n1nnnc1C1(N(C)C)CCCCC1
InChIInChI=1S/C18H27N5/c1-5-15-11-9-10-14(2)16(15)23-17(19-20-21-23)18(22(3)4)12-7-6-8-13-18/h9-11H,5-8,12-13H2,1-4H3
InChIKeyWTMVBJPGFWYFIJ-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.25
Rot. Bonds4

About 1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine

1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 3508864) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
PubChem CID3508864
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
SMILESCCc1cccc(C)c1-n1nnnc1C1(N(C)C)CCCCC1
InChIInChI=1S/C18H27N5/c1-5-15-11-9-10-14(2)16(15)23-17(19-20-21-23)18(22(3)4)12-7-6-8-13-18/h9-11H,5-8,12-13H2,1-4H3
InChIKeyWTMVBJPGFWYFIJ-UHFFFAOYSA-N
XLogP3.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methylphenyl)-5-(3-methylphenyl)-1,2,3,4-tetraazole
CID 855892
1-(2-Methylphenyl)-5-phenyl-1H-tetrazole
CID 2054464
(4-{(4-Cyclohexyl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 646036
4-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-N,N-dimethylaniline
CID 650290
3-[(1-tert-Butyl-1H-tetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)-methyl]-benzonitrile
CID 651969
1-(2-Methyl-6-propan-2-ylphenyl)-5-phenyltetrazole
CID 872287
1,5-bis(3-methylphenyl)-1H-1,2,3,4-tetraazole
CID 1474273
N-{1-[1-(2,6-dimethylphenyl)-1H-tetraazol-5-yl]cyclohexyl}aniline
CID 2829506
N-(4-chlorobenzylidene)-N-{1-[1-(2,6-dimethylphenyl)-1H-tetraazol-5-yl]-1-methylethyl}amine
CID 4251773
Dimethyl-{4-[2-(1-phenyl-1H-tetrazol-5-yl)-vinyl]-phenyl}-amine
CID 5749675
1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360405
1-[cyclopropyl-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360407

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine (CID 3508864) is 1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine is CCc1cccc(C)c1-n1nnnc1C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is WTMVBJPGFWYFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-5-15-11-9-10-14(2)16(15)23-17(19-20-21-23)18(22(3)4)12-7-6-8-13-18/h9-11H,5-8,12-13H2,1-4H3.
What are the key properties of 1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine?
1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 313.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 3508864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).