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

C15H28N4 — CID 114687200

IUPACN-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1CCC)C1CCCCC1
InChIInChI=1S/C15H28N4/c1-3-10-16-15(13-8-6-5-7-9-13)14-12-17-18-19(14)11-4-2/h12-13,15-16H,3-11H2,1-2H3
InChIKeyTYMNTUVOVOJLIO-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.31
Rot. Bonds7

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

N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 114687200) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
PubChem CID114687200
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1CCC)C1CCCCC1
InChIInChI=1S/C15H28N4/c1-3-10-16-15(13-8-6-5-7-9-13)14-12-17-18-19(14)11-4-2/h12-13,15-16H,3-11H2,1-2H3
InChIKeyTYMNTUVOVOJLIO-UHFFFAOYSA-N
XLogP3.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687454
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
N-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114689062
N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 106445341
[(4-propylcyclohexyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105232238
N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114688103
N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105079721
2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038639
N-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688139

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine (CID 114687200) is N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnnn1CCC)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is TYMNTUVOVOJLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-10-16-15(13-8-6-5-7-9-13)14-12-17-18-19(14)11-4-2/h12-13,15-16H,3-11H2,1-2H3.
What are the key properties of N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine?
N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114687200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).