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

C12H22N4O — CID 95211553

IUPAC[(2S)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine
SMILESCC(C)n1ccnc1CN1CCO[C@@H](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/t11-/m0/s1
InChIKeyYVEJDJCOZZJYFX-NSHDSACASA-N
MW238.33 g/mol
LogP0.62
Rot. Bonds4

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

[(2S)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine (PubChem CID 95211553) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [(2S)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine
PubChem CID95211553
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[(2S)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine
SMILESCC(C)n1ccnc1CN1CCO[C@@H](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/t11-/m0/s1
InChIKeyYVEJDJCOZZJYFX-NSHDSACASA-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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Related Compounds

[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-2-yl]methanol
CID 113251773
[1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine
CID 165488496
[4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 120844424
[4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine
CID 61338959
[4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844442
1-(oxan-4-yl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepane-6-carboxamide
CID 127245462
[4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine
CID 114394884
[4-[[4-(2-methylpropyl)morpholin-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398613
(5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol
CID 110156275
[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393446
[4-[(2-propylpyrazol-3-yl)methyl]morpholin-2-yl]methanamine
CID 114556434
4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 75369872

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [(2S)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine (CID 95211553) is [(2S)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [(2S)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [(2S)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine is CC(C)n1ccnc1CN1CCO[C@@H](CN)C1.
What is the InChIKey of [(2S)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine?
The InChIKey is YVEJDJCOZZJYFX-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of [(2S)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine?
[(2S)-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 [(2S)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 95211553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).