4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine

C11H19N3O — CID 50949621

IUPAC4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine
SMILESCCCC1COCCN1Cc1ncc[nH]1
InChIInChI=1S/C11H19N3O/c1-2-3-10-9-15-7-6-14(10)8-11-12-4-5-13-11/h4-5,10H,2-3,6-9H2,1H3,(H,12,13)
InChIKeyOQNHKXRKHZRRNB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.41
Rot. Bonds4

About 4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine

4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine (PubChem CID 50949621) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine
PubChem CID50949621
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine
SMILESCCCC1COCCN1Cc1ncc[nH]1
InChIInChI=1S/C11H19N3O/c1-2-3-10-9-15-7-6-14(10)8-11-12-4-5-13-11/h4-5,10H,2-3,6-9H2,1H3,(H,12,13)
InChIKeyOQNHKXRKHZRRNB-UHFFFAOYSA-N
XLogP1.41
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethoxymethyl)-1H-imidazole
CID 15043882
4-(1H-imidazol-2-ylmethyl)morpholine
CID 272246
2-(oxan-4-yl)-1H-imidazole
CID 59198587
2-(1H-imidazol-2-yl)morpholine
CID 82595193
2-(1-methyl-1H-imidazol-2-yl)oxan-4-amine
CID 121553057
Morpholine, 4-(1H-imidazol-2-yl)-
CID 22918961
({4-[(1-isopropyl-1H-imidazol-2-yl)methyl]morpholin-2-yl}methyl)amine
CID 56752745
(3S*,4R*)-1-[(1-isopropyl-1H-imidazol-2-yl)methyl]-3-methoxypiperidin-4-amine
CID 56865631
4-{1-[1-(1H-imidazol-2-ylmethyl)-4-piperidinyl]ethyl}morpholine
CID 70771790
1-(1H-imidazol-2-ylmethyl)-4-(tetrahydro-2H-pyran-4-yl)piperazine
CID 74240033
9-(1H-Imidazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 74247280
(3S)-4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine
CID 95120212

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine?
The IUPAC name of 4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine (CID 50949621) is 4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine.
What is the SMILES notation for 4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine?
The canonical SMILES for 4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine is CCCC1COCCN1Cc1ncc[nH]1.
What is the InChIKey of 4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine?
The InChIKey is OQNHKXRKHZRRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-3-10-9-15-7-6-14(10)8-11-12-4-5-13-11/h4-5,10H,2-3,6-9H2,1H3,(H,12,13).
What are the key properties of 4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine?
4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine has a molecular weight of 209.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine is sourced from PubChem (CID 50949621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).