N-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine

C14H27N5O — CID 62433705

IUPACN-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCN2CC(C)OCC2C)nn1
InChIInChI=1S/C14H27N5O/c1-4-5-15-8-14-10-19(17-16-14)7-6-18-9-13(3)20-11-12(18)2/h10,12-13,15H,4-9,11H2,1-3H3
InChIKeyYQYIHNCVHADIGG-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.89
Rot. Bonds7

About N-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine

N-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine (PubChem CID 62433705) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
PubChem CID62433705
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC NameN-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCN2CC(C)OCC2C)nn1
InChIInChI=1S/C14H27N5O/c1-4-5-15-8-14-10-19(17-16-14)7-6-18-9-13(3)20-11-12(18)2/h10,12-13,15H,4-9,11H2,1-3H3
InChIKeyYQYIHNCVHADIGG-UHFFFAOYSA-N
XLogP0.89
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62420823
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid
CID 43544795
N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine
CID 66194117
N-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 114413045
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 103014130
N-[[1-[2-(4-bromopyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62440961
N-[[5-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62433524
N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62429644
N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 63705832
N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine
CID 82931017
N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine
CID 55074649

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine (CID 62433705) is N-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(CCN2CC(C)OCC2C)nn1.
What is the InChIKey of N-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine?
The InChIKey is YQYIHNCVHADIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-4-5-15-8-14-10-19(17-16-14)7-6-18-9-13(3)20-11-12(18)2/h10,12-13,15H,4-9,11H2,1-3H3.
What are the key properties of N-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine?
N-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62433705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).