N-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine

C13H25N5O — CID 66192747

IUPACN-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CC2CN(C(C)C)CCO2)nn1
InChIInChI=1S/C13H25N5O/c1-4-14-7-12-8-18(16-15-12)10-13-9-17(11(2)3)5-6-19-13/h8,11,13-14H,4-7,9-10H2,1-3H3
InChIKeyNWCXFPVIVPODOG-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.50
Rot. Bonds6

About N-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine

N-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine (PubChem CID 66192747) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine
PubChem CID66192747
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CC2CN(C(C)C)CCO2)nn1
InChIInChI=1S/C13H25N5O/c1-4-14-7-12-8-18(16-15-12)10-13-9-17(11(2)3)5-6-19-13/h8,11,13-14H,4-7,9-10H2,1-3H3
InChIKeyNWCXFPVIVPODOG-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66194671
N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66192330
[1-[(4-ethylmorpholin-2-yl)methyl]triazol-4-yl]methanol
CID 79183183
2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 79183117
4-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-3-amine
CID 64535535
N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79663346
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine
CID 62394416
N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
CID 66214826
2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine
CID 79182053
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid
CID 79104478
1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
CID 79108030
N-[[1-[2-(3-methylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62420823

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine (CID 66192747) is N-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(CC2CN(C(C)C)CCO2)nn1.
What is the InChIKey of N-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is NWCXFPVIVPODOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-14-7-12-8-18(16-15-12)10-13-9-17(11(2)3)5-6-19-13/h8,11,13-14H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 267.38 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-propan-2-ylmorpholin-2-yl)methyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66192747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).