N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine

C13H24N4 — CID 114687199

IUPACN-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1C)C1CCCCC1
InChIInChI=1S/C13H24N4/c1-3-9-14-13(11-7-5-4-6-8-11)12-10-15-16-17(12)2/h10-11,13-14H,3-9H2,1-2H3
InChIKeyXMXTXZYDZDSNLL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.44
Rot. Bonds5

About N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine

N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 114687199) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
PubChem CID114687199
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1C)C1CCCCC1
InChIInChI=1S/C13H24N4/c1-3-9-14-13(11-7-5-4-6-8-11)12-10-15-16-17(12)2/h10-11,13-14H,3-9H2,1-2H3
InChIKeyXMXTXZYDZDSNLL-UHFFFAOYSA-N
XLogP2.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200
N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114688103
1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688757
[cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105255052
N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687454
N-[(4,4-dimethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114688067
N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 114688035
1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 114687206
N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105079721
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083
N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 107191060
[(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105210538

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine (CID 114687199) is N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnnn1C)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is XMXTXZYDZDSNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-9-14-13(11-7-5-4-6-8-11)12-10-15-16-17(12)2/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine?
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114687199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).