2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]cyclohexan-1-one

C14H26N2O2 — CID 66051182

IUPAC2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]cyclohexan-1-one
SMILESCN(C)CC1CC(O)CN1CC1CCCCC1=O
InChIInChI=1S/C14H26N2O2/c1-15(2)9-12-7-13(17)10-16(12)8-11-5-3-4-6-14(11)18/h11-13,17H,3-10H2,1-2H3
InChIKeyXYJCAGATYJQQBO-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.74
Rot. Bonds4

About 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]cyclohexan-1-one

2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]cyclohexan-1-one (PubChem CID 66051182) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]cyclohexan-1-one
PubChem CID66051182
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]cyclohexan-1-one
SMILESCN(C)CC1CC(O)CN1CC1CCCCC1=O
InChIInChI=1S/C14H26N2O2/c1-15(2)9-12-7-13(17)10-16(12)8-11-5-3-4-6-14(11)18/h11-13,17H,3-10H2,1-2H3
InChIKeyXYJCAGATYJQQBO-UHFFFAOYSA-N
XLogP0.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]cyclohexan-1-one (CID 66051182) is 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]cyclohexan-1-one is CN(C)CC1CC(O)CN1CC1CCCCC1=O.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]cyclohexan-1-one?
The InChIKey is XYJCAGATYJQQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15(2)9-12-7-13(17)10-16(12)8-11-5-3-4-6-14(11)18/h11-13,17H,3-10H2,1-2H3.
What are the key properties of 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]cyclohexan-1-one?
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]cyclohexan-1-one has a molecular weight of 254.37 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]cyclohexan-1-one is sourced from PubChem (CID 66051182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).