N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine

C13H25N5O — CID 114688561

IUPACN-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine
SMILESCCCN1CCOC(C(NCC)c2cnnn2C)C1
InChIInChI=1S/C13H25N5O/c1-4-6-18-7-8-19-12(10-18)13(14-5-2)11-9-15-16-17(11)3/h9,12-14H,4-8,10H2,1-3H3
InChIKeyIUMMLDJADBQGFH-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.58
Rot. Bonds6

About N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine

N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine (PubChem CID 114688561) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine
PubChem CID114688561
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine
SMILESCCCN1CCOC(C(NCC)c2cnnn2C)C1
InChIInChI=1S/C13H25N5O/c1-4-6-18-7-8-19-12(10-18)13(14-5-2)11-9-15-16-17(11)3/h9,12-14H,4-8,10H2,1-3H3
InChIKeyIUMMLDJADBQGFH-UHFFFAOYSA-N
XLogP0.58
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688442
N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine
CID 105043621
(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688558
N-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine
CID 105395250
N-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine
CID 107560521
N-[cyclopropyl-(4-propylmorpholin-2-yl)methyl]ethanamine
CID 79657331
N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 114688035
N-ethyl-1-(4-propylmorpholin-2-yl)prop-2-en-1-amine
CID 79658103
N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 107191060
[(4-propylmorpholin-2-yl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105247926
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79664014
[(1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247836

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine (CID 114688561) is N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine is CCCN1CCOC(C(NCC)c2cnnn2C)C1.
What is the InChIKey of N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine?
The InChIKey is IUMMLDJADBQGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-6-18-7-8-19-12(10-18)13(14-5-2)11-9-15-16-17(11)3/h9,12-14H,4-8,10H2,1-3H3.
What are the key properties of N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine?
N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine has a molecular weight of 267.38 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine is sourced from PubChem (CID 114688561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).