2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine

C17H24N4 — CID 126822132

IUPAC2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine
SMILESCC(NC(CC1CCC1)c1ccccc1)c1cnn(C)n1
InChIInChI=1S/C17H24N4/c1-13(17-12-18-21(2)20-17)19-16(11-14-7-6-8-14)15-9-4-3-5-10-15/h3-5,9-10,12-14,16,19H,6-8,11H2,1-2H3
InChIKeyJIZVZTYLFACSDT-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.40
Rot. Bonds6

About 2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine

2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine (PubChem CID 126822132) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine
PubChem CID126822132
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine
SMILESCC(NC(CC1CCC1)c1ccccc1)c1cnn(C)n1
InChIInChI=1S/C17H24N4/c1-13(17-12-18-21(2)20-17)19-16(11-14-7-6-8-14)15-9-4-3-5-10-15/h3-5,9-10,12-14,16,19H,6-8,11H2,1-2H3
InChIKeyJIZVZTYLFACSDT-UHFFFAOYSA-N
XLogP3.40
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyclopentyl-1-phenylethyl)benzene
CID 138978826
N-(2-cyclobutylethyl)-1-phenylethanamine
CID 115688569
2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105151678
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
2-cyclopentyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858828
2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride
CID 175168878
(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
CID 103784069
N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 110012928
cyclohexyl-(2-methyltriazol-4-yl)methanol
CID 130521712
2-cyclopentyl-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine
CID 114198031
(2-cyclopentyl-1-pyridin-3-ylethyl)hydrazine
CID 105196086

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine?
The IUPAC name of 2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine (CID 126822132) is 2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine.
What is the SMILES notation for 2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine?
The canonical SMILES for 2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine is CC(NC(CC1CCC1)c1ccccc1)c1cnn(C)n1.
What is the InChIKey of 2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine?
The InChIKey is JIZVZTYLFACSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13(17-12-18-21(2)20-17)19-16(11-14-7-6-8-14)15-9-4-3-5-10-15/h3-5,9-10,12-14,16,19H,6-8,11H2,1-2H3.
What are the key properties of 2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine?
2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine has a molecular weight of 284.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 126822132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).