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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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).