N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine

C15H29N5O — CID 107050193

IUPACN-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cn(C)nn1)C1CN(CCC)CCO1
InChIInChI=1S/C15H29N5O/c1-4-6-16-14(10-13-11-19(3)18-17-13)15-12-20(7-5-2)8-9-21-15/h11,14-16H,4-10,12H2,1-3H3
InChIKeySCDZGMJONHUDQP-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.84
Rot. Bonds8

About N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine

N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine (PubChem CID 107050193) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
PubChem CID107050193
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC NameN-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cn(C)nn1)C1CN(CCC)CCO1
InChIInChI=1S/C15H29N5O/c1-4-6-16-14(10-13-11-19(3)18-17-13)15-12-20(7-5-2)8-9-21-15/h11,14-16H,4-10,12H2,1-3H3
InChIKeySCDZGMJONHUDQP-UHFFFAOYSA-N
XLogP0.84
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 107064615
N-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
CID 79664430
N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107050078
N-[1-(4-propylmorpholin-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824727
N-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
CID 79664444
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064360
N-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 79664239
5,5,5-trifluoro-N-propyl-1-(4-propylmorpholin-2-yl)pentan-1-amine
CID 115517365
N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 107050253
N-[1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 79662546
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79664014
1-(4-propylmorpholin-2-yl)butylhydrazine
CID 105247790

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine (CID 107050193) is N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cn(C)nn1)C1CN(CCC)CCO1.
What is the InChIKey of N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine?
The InChIKey is SCDZGMJONHUDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-4-6-16-14(10-13-11-19(3)18-17-13)15-12-20(7-5-2)8-9-21-15/h11,14-16H,4-10,12H2,1-3H3.
What are the key properties of N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine?
N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107050193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).