N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine

C16H24N4O — CID 105184380

IUPACN-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine
SMILESCCNC(CCC(C)OC)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H24N4O/c1-4-17-15(11-10-13(2)21-3)16-12-18-19-20(16)14-8-6-5-7-9-14/h5-9,12-13,15,17H,4,10-11H2,1-3H3
InChIKeyZNDXVACBOONPKW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.73
Rot. Bonds8

About N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine

N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine (PubChem CID 105184380) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine
PubChem CID105184380
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine
SMILESCCNC(CCC(C)OC)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H24N4O/c1-4-17-15(11-10-13(2)21-3)16-12-18-19-20(16)14-8-6-5-7-9-14/h5-9,12-13,15,17H,4,10-11H2,1-3H3
InChIKeyZNDXVACBOONPKW-UHFFFAOYSA-N
XLogP2.73
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687204
N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687752
1-(3-phenyltriazol-4-yl)butylhydrazine
CID 105202328
N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114688705
N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine
CID 105184360
N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923869
N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114687984
N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 106858669
2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine
CID 114688531
1-(3-phenyltriazol-4-yl)heptylhydrazine
CID 105337463
N-ethyl-1-(furan-3-yl)-4-methoxypentan-1-amine
CID 105146658
N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine
CID 105145424

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine (CID 105184380) is N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine is CCNC(CCC(C)OC)c1cnnn1-c1ccccc1.
What is the InChIKey of N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine?
The InChIKey is ZNDXVACBOONPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-17-15(11-10-13(2)21-3)16-12-18-19-20(16)14-8-6-5-7-9-14/h5-9,12-13,15,17H,4,10-11H2,1-3H3.
What are the key properties of N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine?
N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine is sourced from PubChem (CID 105184380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).