N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine

C14H27N5 — CID 62462234

IUPACN,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine
SMILESCNCc1cn(CCN(C)C2CCCCC2C)nn1
InChIInChI=1S/C14H27N5/c1-12-6-4-5-7-14(12)18(3)8-9-19-11-13(10-15-2)16-17-19/h11-12,14-15H,4-10H2,1-3H3
InChIKeyQMDYFEYUSUHBPU-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.51
Rot. Bonds6

About N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine

N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine (PubChem CID 62462234) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine
PubChem CID62462234
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine
SMILESCNCc1cn(CCN(C)C2CCCCC2C)nn1
InChIInChI=1S/C14H27N5/c1-12-6-4-5-7-14(12)18(3)8-9-19-11-13(10-15-2)16-17-19/h11-12,14-15H,4-10H2,1-3H3
InChIKeyQMDYFEYUSUHBPU-UHFFFAOYSA-N
XLogP1.51
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62418703
N,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine
CID 81469711
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine
CID 62425720
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 55069971
N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N,2-dimethyloxolan-3-amine
CID 82753893
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62419091
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine
CID 112665539
N,N-dimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine
CID 63166913
N-[[1-[2-[cyclopentylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 63655308
N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine
CID 62433817
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 66213840

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine (CID 62462234) is N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine is CNCc1cn(CCN(C)C2CCCCC2C)nn1.
What is the InChIKey of N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine?
The InChIKey is QMDYFEYUSUHBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-12-6-4-5-7-14(12)18(3)8-9-19-11-13(10-15-2)16-17-19/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine?
N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 62462234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).