1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine

C13H24N4 — CID 114688757

IUPAC1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1cnnn1C)C1CCCCCCC1
InChIInChI=1S/C13H24N4/c1-14-13(12-10-15-16-17(12)2)11-8-6-4-3-5-7-9-11/h10-11,13-14H,3-9H2,1-2H3
InChIKeyORXWZKKCMCCDCC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.44
Rot. Bonds3

About 1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine

1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine (PubChem CID 114688757) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine
PubChem CID114688757
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1cnnn1C)C1CCCCCCC1
InChIInChI=1S/C13H24N4/c1-14-13(12-10-15-16-17(12)2)11-8-6-4-3-5-7-9-11/h10-11,13-14H,3-9H2,1-2H3
InChIKeyORXWZKKCMCCDCC-UHFFFAOYSA-N
XLogP2.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105255052
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199
N-methyl-1-(3-methyltriazol-4-yl)-1-(thiolan-2-yl)methanamine
CID 114688765
2-cyclopentyl-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 105043854
1-cycloheptyl-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82932122
[(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105210538
2-cyclohexyl-2-methoxy-1-(3-methyltriazol-4-yl)ethanol
CID 114686845
N-[(4,4-dimethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114688067
N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 114688035
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083
N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687181
N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of 1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine (CID 114688757) is 1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for 1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine is CNC(c1cnnn1C)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The InChIKey is ORXWZKKCMCCDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-14-13(12-10-15-16-17(12)2)11-8-6-4-3-5-7-9-11/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of 1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine has a molecular weight of 236.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 114688757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).