[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine

C10H18N4O — CID 79078229

IUPAC[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine
SMILESCN1CCOC(Cn2cncc2CN)C1
InChIInChI=1S/C10H18N4O/c1-13-2-3-15-10(6-13)7-14-8-12-5-9(14)4-11/h5,8,10H,2-4,6-7,11H2,1H3
InChIKeyUZITVSYLCYADLY-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.33
Rot. Bonds3

About [3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine

[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine (PubChem CID 79078229) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is [3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine
PubChem CID79078229
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine
SMILESCN1CCOC(Cn2cncc2CN)C1
InChIInChI=1S/C10H18N4O/c1-13-2-3-15-10(6-13)7-14-8-12-5-9(14)4-11/h5,8,10H,2-4,6-7,11H2,1H3
InChIKeyUZITVSYLCYADLY-UHFFFAOYSA-N
XLogP-0.33
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine (CID 79078229) is [3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine is CN1CCOC(Cn2cncc2CN)C1.
What is the InChIKey of [3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine?
The InChIKey is UZITVSYLCYADLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-13-2-3-15-10(6-13)7-14-8-12-5-9(14)4-11/h5,8,10H,2-4,6-7,11H2,1H3.
What are the key properties of [3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine?
[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine has a molecular weight of 210.28 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 79078229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).