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

C16H24N4 — CID 114689849

IUPACN-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cnnn2CCC)c(C)c1
InChIInChI=1S/C16H24N4/c1-4-8-17-11-14-6-7-15(13(3)10-14)16-12-18-19-20(16)9-5-2/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3
InChIKeyJZGGCZBKDJARAD-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.16
Rot. Bonds7

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

N-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine (PubChem CID 114689849) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine
PubChem CID114689849
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cnnn2CCC)c(C)c1
InChIInChI=1S/C16H24N4/c1-4-8-17-11-14-6-7-15(13(3)10-14)16-12-18-19-20(16)9-5-2/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3
InChIKeyJZGGCZBKDJARAD-UHFFFAOYSA-N
XLogP3.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine
CID 114689873
N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine
CID 105409562
1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine
CID 114689850
N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 105410082
N-[(4-imidazo[1,2-a]pyridin-5-yl-3-methylphenyl)methyl]propan-1-amine
CID 102626379
N-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine
CID 66481057
N-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine
CID 105408843
3-[5-(2,4-dimethylphenyl)triazol-1-yl]propan-1-amine
CID 82222159
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687598
N-[[5-fluoro-2-(3-methyltriazol-4-yl)phenyl]methyl]propan-1-amine
CID 114078609
N-[[4-(2-fluoro-4-methoxyphenyl)-3-methylphenyl]methyl]propan-1-amine
CID 66479253
N-[[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]propan-1-amine
CID 81447351

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine (CID 114689849) is N-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(-c2cnnn2CCC)c(C)c1.
What is the InChIKey of N-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine?
The InChIKey is JZGGCZBKDJARAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-8-17-11-14-6-7-15(13(3)10-14)16-12-18-19-20(16)9-5-2/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine?
N-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 114689849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).