N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine

C15H28N4O — CID 79762004

IUPACN-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine
SMILESCCNC(Cc1nccn1C)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H28N4O/c1-5-16-13(12-14-17-6-7-18(14)4)15(2,3)19-8-10-20-11-9-19/h6-7,13,16H,5,8-12H2,1-4H3
InChIKeyJDCKOYTYGXLPGO-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.05
Rot. Bonds6

About N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine

N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine (PubChem CID 79762004) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine
PubChem CID79762004
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine
SMILESCCNC(Cc1nccn1C)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H28N4O/c1-5-16-13(12-14-17-6-7-18(14)4)15(2,3)19-8-10-20-11-9-19/h6-7,13,16H,5,8-12H2,1-4H3
InChIKeyJDCKOYTYGXLPGO-UHFFFAOYSA-N
XLogP1.05
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylpentan-2-amine
CID 79761529
[3-methyl-3-morpholin-4-yl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine
CID 105240220
N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine
CID 79761018
[4-methyl-1-(1-methylimidazol-2-yl)-4-morpholin-4-ylhexan-3-yl]hydrazine
CID 105241557
N-ethyl-1-(furan-2-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 83176070
N-ethyl-2-methyl-2-morpholin-4-yl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 79051327
N-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79051761
N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79052240
N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 63198283
1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 103546972
1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79575615
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751363

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine (CID 79762004) is N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine is CCNC(Cc1nccn1C)C(C)(C)N1CCOCC1.
What is the InChIKey of N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine?
The InChIKey is JDCKOYTYGXLPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-16-13(12-14-17-6-7-18(14)4)15(2,3)19-8-10-20-11-9-19/h6-7,13,16H,5,8-12H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine?
N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine has a molecular weight of 280.42 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 79762004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).