2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine

C13H25N5O — CID 79183117

IUPAC2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine
SMILESCN1CCOC(Cn2cc(CNC(C)(C)C)nn2)C1
InChIInChI=1S/C13H25N5O/c1-13(2,3)14-7-11-8-18(16-15-11)10-12-9-17(4)5-6-19-12/h8,12,14H,5-7,9-10H2,1-4H3
InChIKeyFJKATIFYCLCDBA-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.50
Rot. Bonds4

About 2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 79183117) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID79183117
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine
SMILESCN1CCOC(Cn2cc(CNC(C)(C)C)nn2)C1
InChIInChI=1S/C13H25N5O/c1-13(2,3)14-7-11-8-18(16-15-11)10-12-9-17(4)5-6-19-12/h8,12,14H,5-7,9-10H2,1-4H3
InChIKeyFJKATIFYCLCDBA-UHFFFAOYSA-N
XLogP0.50
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine
CID 79182053
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193655
2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194002
N-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66192747
N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438334
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
N-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438721
2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62437588
2-methyl-N-[[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 66191878
N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
CID 66214826
N-[[1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62431810
[1-[(4-ethylmorpholin-2-yl)methyl]triazol-4-yl]methanol
CID 79183183

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine (CID 79183117) is 2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine is CN1CCOC(Cn2cc(CNC(C)(C)C)nn2)C1.
What is the InChIKey of 2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is FJKATIFYCLCDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-13(2,3)14-7-11-8-18(16-15-11)10-12-9-17(4)5-6-19-12/h8,12,14H,5-7,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 267.38 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79183117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).