N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine

C16H30N4O — CID 79752801

IUPACN-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CCC)C1CN(C)CCO1
InChIInChI=1S/C16H30N4O/c1-4-6-17-14(15-13-19(3)10-11-21-15)12-16-18-7-9-20(16)8-5-2/h7,9,14-15,17H,4-6,8,10-13H2,1-3H3
InChIKeyCPKQJFBATJPJLV-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.53
Rot. Bonds8

About N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine

N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 79752801) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID79752801
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CCC)C1CN(C)CCO1
InChIInChI=1S/C16H30N4O/c1-4-6-17-14(15-13-19(3)10-11-21-15)12-16-18-7-9-20(16)8-5-2/h7,9,14-15,17H,4-6,8,10-13H2,1-3H3
InChIKeyCPKQJFBATJPJLV-UHFFFAOYSA-N
XLogP1.53
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79761166
(4-methylmorpholin-2-yl)-(1-propylimidazol-2-yl)methanol
CID 79087761
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-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79761761
N-[1-(4-methylthiomorpholin-3-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 106445389
1-(1,4-dioxan-2-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 115824351
N-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 115983887
4-cyclopentyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012343
N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79963843
N-[2-(2,5-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79095159
[1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105249781

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine (CID 79752801) is N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccn1CCC)C1CN(C)CCO1.
What is the InChIKey of N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is CPKQJFBATJPJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-4-6-17-14(15-13-19(3)10-11-21-15)12-16-18-7-9-20(16)8-5-2/h7,9,14-15,17H,4-6,8,10-13H2,1-3H3.
What are the key properties of N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79752801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).