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

C17H25N5 — CID 5024736

IUPAC1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
SMILESCc1cccc(C)c1-n1nnnc1C1(N(C)C)CCCCC1
InChIInChI=1S/C17H25N5/c1-13-9-8-10-14(2)15(13)22-16(18-19-20-22)17(21(3)4)11-6-5-7-12-17/h8-10H,5-7,11-12H2,1-4H3
InChIKeyCOJOMOYECMBGIM-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.00
Rot. Bonds3

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

1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 5024736) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
PubChem CID5024736
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
SMILESCc1cccc(C)c1-n1nnnc1C1(N(C)C)CCCCC1
InChIInChI=1S/C17H25N5/c1-13-9-8-10-14(2)15(13)22-16(18-19-20-22)17(21(3)4)11-6-5-7-12-17/h8-10H,5-7,11-12H2,1-4H3
InChIKeyCOJOMOYECMBGIM-UHFFFAOYSA-N
XLogP3.00
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine (CID 5024736) is 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine is Cc1cccc(C)c1-n1nnnc1C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is COJOMOYECMBGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-13-9-8-10-14(2)15(13)22-16(18-19-20-22)17(21(3)4)11-6-5-7-12-17/h8-10H,5-7,11-12H2,1-4H3.
What are the key properties of 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine?
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 299.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 5024736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).