1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine

C15H20ClN5 — CID 581177

IUPAC1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H20ClN5/c1-20(2)15(10-4-3-5-11-15)14-17-18-19-21(14)13-8-6-12(16)7-9-13/h6-9H,3-5,10-11H2,1-2H3
InChIKeyNZDONKWHQDMJRZ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.04
Rot. Bonds3

About 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine

1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 581177) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
PubChem CID581177
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H20ClN5/c1-20(2)15(10-4-3-5-11-15)14-17-18-19-21(14)13-8-6-12(16)7-9-13/h6-9H,3-5,10-11H2,1-2H3
InChIKeyNZDONKWHQDMJRZ-UHFFFAOYSA-N
XLogP3.04
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3,4-Dichloro-phenyl)-1H-tetrazol-5-ylmethyl]-piperidine
CID 3165816
1-[1-(4-Chloro-phenyl)-1H-tetrazol-5-ylmethyl]-4-methyl-piperidine
CID 3167930
2-[1-(4-chlorophenyl)-1H-1,2,3,4-tetraazol-5-yl]acetaldehyde 1-methyl-1-phenylhydrazone
CID 9583261
1-[1-(1-tert-Butyl-1H-tetrazol-5-yl)-2-methyl-propyl]-4-(3-chloro-phenyl)-piperazine
CID 646653
1-(3-Chloro-phenyl)-4-[1-(1-isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-piperazine
CID 651221
1-[1-(1-tert-Butyl-1H-tetrazol-5-yl)-propyl]-4-(5-chloro-2-methyl-phenyl)-piperazine
CID 655300
1-(3,4-dichlorophenyl)-5-phenyl-1H-tetrazole
CID 773470
N-(4-chlorophenyl)-N-[1-(1-cyclohexyl-1H-tetraazol-5-yl)cyclohexyl]amine
CID 1034633
2-chloro-N-{2-[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]butan-2-yl}-N-nitrosoaniline
CID 3521510
1-[4-Chlorophenyl]-N,N-dimethyl-1H-tetrazol-5-amine
CID 539378
5-(2-Chlorophenyl)-1-(4-fluorophenyl)-1,2,3,4-tetraazole
CID 847265
1,5-di(4-chlorophenyl)-1H-1,2,3,4-tetraazole
CID 2799602

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine (CID 581177) is 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is NZDONKWHQDMJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-20(2)15(10-4-3-5-11-15)14-17-18-19-21(14)13-8-6-12(16)7-9-13/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine?
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 305.81 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 581177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).