[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine

C12H22N4O — CID 56752745

IUPAC[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine
SMILESCC(C)n1ccnc1CN1CCOC(CN)C1
InChIInChI=1S/C12H22N4O/c1-10(2)16-4-3-14-12(16)9-15-5-6-17-11(7-13)8-15/h3-4,10-11H,5-9,13H2,1-2H3
InChIKeyYVEJDJCOZZJYFX-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.62
Rot. Bonds4

About [4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine

[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine (PubChem CID 56752745) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine
PubChem CID56752745
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine
SMILESCC(C)n1ccnc1CN1CCOC(CN)C1
InChIInChI=1S/C12H22N4O/c1-10(2)16-4-3-14-12(16)9-15-5-6-17-11(7-13)8-15/h3-4,10-11H,5-9,13H2,1-2H3
InChIKeyYVEJDJCOZZJYFX-UHFFFAOYSA-N
XLogP0.62
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine (CID 56752745) is [4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine is CC(C)n1ccnc1CN1CCOC(CN)C1.
What is the InChIKey of [4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine?
The InChIKey is YVEJDJCOZZJYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(2)16-4-3-14-12(16)9-15-5-6-17-11(7-13)8-15/h3-4,10-11H,5-9,13H2,1-2H3.
What are the key properties of [4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine?
[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 56752745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).