N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine

C15H22N4O — CID 105184360

IUPACN-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(NC)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H22N4O/c1-3-10-20-11-9-14(16-2)15-12-17-18-19(15)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11H2,1-2H3
InChIKeyROCOZXGRLHUPHV-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.34
Rot. Bonds8

About N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine

N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine (PubChem CID 105184360) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine
PubChem CID105184360
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(NC)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H22N4O/c1-3-10-20-11-9-14(16-2)15-12-17-18-19(15)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11H2,1-2H3
InChIKeyROCOZXGRLHUPHV-UHFFFAOYSA-N
XLogP2.34
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687204
1-(3-phenyltriazol-4-yl)butylhydrazine
CID 105202328
N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine
CID 114687507
1-(3-phenyltriazol-4-yl)heptylhydrazine
CID 105337463
N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine
CID 105184380
2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 105043304
N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687752
2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 103517148
1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine
CID 114688285
N-methyl-1-phenyl-4-propoxybutan-1-amine
CID 79570537
1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine
CID 105181877
[2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine
CID 105227341

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine?
The IUPAC name of N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine (CID 105184360) is N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine.
What is the SMILES notation for N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine?
The canonical SMILES for N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine is CCCOCCC(NC)c1cnnn1-c1ccccc1.
What is the InChIKey of N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine?
The InChIKey is ROCOZXGRLHUPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-10-20-11-9-14(16-2)15-12-17-18-19(15)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11H2,1-2H3.
What are the key properties of N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine?
N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine is sourced from PubChem (CID 105184360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).