N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine

C15H20N4 — CID 116506363

IUPACN-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)c1cn[nH]n1
InChIInChI=1S/C15H20N4/c1-2-16-15(14-10-17-19-18-14)13-8-6-12(7-9-13)11-4-3-5-11/h6-11,15-16H,2-5H2,1H3,(H,17,18,19)
InChIKeyJQXADSGQOBZXSN-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.77
Rot. Bonds5

About N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine

N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine (PubChem CID 116506363) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine
PubChem CID116506363
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)c1cn[nH]n1
InChIInChI=1S/C15H20N4/c1-2-16-15(14-10-17-19-18-14)13-8-6-12(7-9-13)11-4-3-5-11/h6-11,15-16H,2-5H2,1H3,(H,17,18,19)
InChIKeyJQXADSGQOBZXSN-UHFFFAOYSA-N
XLogP2.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923880
N-[(4-cyclobutylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 116506103
N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 105045025
N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 103444478
N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine
CID 116506465
N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
CID 116506386
N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114604169
N-[2,3-dihydro-1-benzofuran-5-yl(2H-triazol-4-yl)methyl]ethanamine
CID 113425125
N-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 105044884
N-[(4-cyclobutylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 105044981
N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
CID 116505979
N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 79972579

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine (CID 116506363) is N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine is CCNC(c1ccc(C2CCC2)cc1)c1cn[nH]n1.
What is the InChIKey of N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine?
The InChIKey is JQXADSGQOBZXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-16-15(14-10-17-19-18-14)13-8-6-12(7-9-13)11-4-3-5-11/h6-11,15-16H,2-5H2,1H3,(H,17,18,19).
What are the key properties of N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine?
N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 116506363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).