1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine

C12H22N2O — CID 79093470

IUPAC1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine
SMILESC#CCC(NCCC)C1CN(C)CCO1
InChIInChI=1S/C12H22N2O/c1-4-6-11(13-7-5-2)12-10-14(3)8-9-15-12/h1,11-13H,5-10H2,2-3H3
InChIKeyXAQLLEIAJFPQQX-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.71
Rot. Bonds5

About 1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine

1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine (PubChem CID 79093470) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine.

Molecular Properties

Compound Name1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine
PubChem CID79093470
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine
SMILESC#CCC(NCCC)C1CN(C)CCO1
InChIInChI=1S/C12H22N2O/c1-4-6-11(13-7-5-2)12-10-14(3)8-9-15-12/h1,11-13H,5-10H2,2-3H3
InChIKeyXAQLLEIAJFPQQX-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(4-methylmorpholin-2-yl)-N-propylhexan-1-amine
CID 79093366
5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine
CID 115517290
1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 79092505
N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79095154
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79093466
N-[2-(2,5-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79095159
N-[(4-methylmorpholin-2-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 79095155
N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092986
N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093560
N-methyl-1-(4-methylmorpholin-2-yl)pentan-1-amine
CID 79093239
N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 79752801
N-ethyl-1-(4-methylmorpholin-2-yl)heptan-1-amine
CID 79092487

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine?
The IUPAC name of 1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine (CID 79093470) is 1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine.
What is the SMILES notation for 1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine?
The canonical SMILES for 1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine is C#CCC(NCCC)C1CN(C)CCO1.
What is the InChIKey of 1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine?
The InChIKey is XAQLLEIAJFPQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-6-11(13-7-5-2)12-10-14(3)8-9-15-12/h1,11-13H,5-10H2,2-3H3.
What are the key properties of 1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine?
1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine has a molecular weight of 210.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine is sourced from PubChem (CID 79093470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).