3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine

C15H28N4O — CID 114705044

IUPAC3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1C(C)CN1CCOCC1
InChIInChI=1S/C15H28N4O/c1-12(2)8-14(16)15-9-17-11-19(15)13(3)10-18-4-6-20-7-5-18/h9,11-14H,4-8,10,16H2,1-3H3
InChIKeyJBDOKHQAGNTEDQ-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.82
Rot. Bonds6

About 3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine

3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine (PubChem CID 114705044) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine
PubChem CID114705044
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1C(C)CN1CCOCC1
InChIInChI=1S/C15H28N4O/c1-12(2)8-14(16)15-9-17-11-19(15)13(3)10-18-4-6-20-7-5-18/h9,11-14H,4-8,10,16H2,1-3H3
InChIKeyJBDOKHQAGNTEDQ-UHFFFAOYSA-N
XLogP1.82
TPSA56.31 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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine (CID 114705044) is 3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine is CC(C)CC(N)c1cncn1C(C)CN1CCOCC1.
What is the InChIKey of 3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine?
The InChIKey is JBDOKHQAGNTEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-12(2)8-14(16)15-9-17-11-19(15)13(3)10-18-4-6-20-7-5-18/h9,11-14H,4-8,10,16H2,1-3H3.
What are the key properties of 3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine?
3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 114705044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).