[2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine

C11H20N4O — CID 79657962

IUPAC[2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine
SMILESCCCN1CCOC(c2ncc(CN)[nH]2)C1
InChIInChI=1S/C11H20N4O/c1-2-3-15-4-5-16-10(8-15)11-13-7-9(6-12)14-11/h7,10H,2-6,8,12H2,1H3,(H,13,14)
InChIKeyRHIDAJVWWSBVQT-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.65
Rot. Bonds4

About [2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine

[2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine (PubChem CID 79657962) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is [2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine
PubChem CID79657962
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name[2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine
SMILESCCCN1CCOC(c2ncc(CN)[nH]2)C1
InChIInChI=1S/C11H20N4O/c1-2-3-15-4-5-16-10(8-15)11-13-7-9(6-12)14-11/h7,10H,2-6,8,12H2,1H3,(H,13,14)
InChIKeyRHIDAJVWWSBVQT-UHFFFAOYSA-N
XLogP0.65
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine (CID 79657962) is [2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine is CCCN1CCOC(c2ncc(CN)[nH]2)C1.
What is the InChIKey of [2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine?
The InChIKey is RHIDAJVWWSBVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-3-15-4-5-16-10(8-15)11-13-7-9(6-12)14-11/h7,10H,2-6,8,12H2,1H3,(H,13,14).
What are the key properties of [2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine?
[2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine has a molecular weight of 224.31 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 79657962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).