[4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol

C11H21N3O2 — CID 120971771

IUPAC[4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol
SMILESCC1CN=C(NCC2(CO)CCOCC2)N1
InChIInChI=1S/C11H21N3O2/c1-9-6-12-10(14-9)13-7-11(8-15)2-4-16-5-3-11/h9,15H,2-8H2,1H3,(H2,12,13,14)
InChIKeyOCBHJAGFPMOHIA-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.29
Rot. Bonds3

About [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol

[4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol (PubChem CID 120971771) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol
PubChem CID120971771
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name[4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol
SMILESCC1CN=C(NCC2(CO)CCOCC2)N1
InChIInChI=1S/C11H21N3O2/c1-9-6-12-10(14-9)13-7-11(8-15)2-4-16-5-3-11/h9,15H,2-8H2,1H3,(H2,12,13,14)
InChIKeyOCBHJAGFPMOHIA-UHFFFAOYSA-N
XLogP-0.29
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol (CID 120971771) is [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol is CC1CN=C(NCC2(CO)CCOCC2)N1.
What is the InChIKey of [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol?
The InChIKey is OCBHJAGFPMOHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9-6-12-10(14-9)13-7-11(8-15)2-4-16-5-3-11/h9,15H,2-8H2,1H3,(H2,12,13,14).
What are the key properties of [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol?
[4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol has a molecular weight of 227.31 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 120971771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).