N,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine

C17H22F3N5 — CID 112844003

IUPACN,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H22F3N5/c1-12-5-3-4-6-15(12)24(2)11-16-21-22-23-25(16)14-9-7-13(8-10-14)17(18,19)20/h7-10,12,15H,3-6,11H2,1-2H3
InChIKeyNNGJCSPUQFKPEG-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.69
Rot. Bonds4

About N,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine

N,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 112844003) has the molecular formula C17H22F3N5 and a molecular weight of 353.39 g/mol. Its IUPAC name is N,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID112844003
Molecular FormulaC17H22F3N5
Molecular Weight353.39 g/mol
Exact Mass353.18
IUPAC NameN,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H22F3N5/c1-12-5-3-4-6-15(12)24(2)11-16-21-22-23-25(16)14-9-7-13(8-10-14)17(18,19)20/h7-10,12,15H,3-6,11H2,1-2H3
InChIKeyNNGJCSPUQFKPEG-UHFFFAOYSA-N
XLogP3.69
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
CID 1448649
(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
1-[1-(1-Isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-4-phenyl-piperazine
CID 3209417
Dimethyl-{4-[2-(1-phenyl-1H-tetrazol-5-yl)-vinyl]-phenyl}-amine
CID 5749675
1-[cyclopropyl-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360407
1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360422
1-[2-(1-[1,1'-biphenyl]-4-yl-1H-1,2,3,4-tetraazol-5-yl)vinyl]azepane
CID 5716499
4-[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazin-8-yl]-N,N-dimethylaniline
CID 118169448
4-[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazin-8-yl]-N,N-dimethylaniline
CID 118169545
{4-[(1-Benzyl-1H-tetrazol-5-yl)-(4-methyl-piperidin-1-yl)-methyl]-phenyl}-dimethyl-amine
CID 645773
{4-[[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-(4-methyl-piperidin-1-yl)-methyl]-phenyl}-dimethyl-amine
CID 647235

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of N,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine (CID 112844003) is N,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine is CC1CCCCC1N(C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is NNGJCSPUQFKPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5/c1-12-5-3-4-6-15(12)24(2)11-16-21-22-23-25(16)14-9-7-13(8-10-14)17(18,19)20/h7-10,12,15H,3-6,11H2,1-2H3.
What are the key properties of N,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine?
N,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 353.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 112844003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).