(2-methylpropan-2-yl)oxy-[2-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanol

C15H30N2O2 — CID 142041385

IUPAC(2-methylpropan-2-yl)oxy-[2-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanol
SMILESCC1CCN(CC2CCCN2C(O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-12-7-9-16(10-12)11-13-6-5-8-17(13)14(18)19-15(2,3)4/h12-14,18H,5-11H2,1-4H3
InChIKeyVXFXXODGPHLXMB-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.88
Rot. Bonds4

About (2-methylpropan-2-yl)oxy-[2-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanol

(2-methylpropan-2-yl)oxy-[2-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanol (PubChem CID 142041385) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxy-[2-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanol.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxy-[2-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanol
PubChem CID142041385
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(2-methylpropan-2-yl)oxy-[2-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanol
SMILESCC1CCN(CC2CCCN2C(O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-12-7-9-16(10-12)11-13-6-5-8-17(13)14(18)19-15(2,3)4/h12-14,18H,5-11H2,1-4H3
InChIKeyVXFXXODGPHLXMB-UHFFFAOYSA-N
XLogP1.88
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol
CID 142979372
1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110910993
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
(3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
CID 77442311
(R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 142812058
(3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
CID 129222575
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 62270133
CID 23403793
CID 23403793
tert-butyl (2R)-2-[(6-methyl-1,1-dioxo-1,4-thiazepan-4-yl)methyl]pyrrolidine-1-carboxylate
CID 126829237
1-(3-methylpiperidin-1-yl)propan-2-ol
CID 60886125
2-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 62615480
3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
CID 23396961

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxy-[2-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanol?
The IUPAC name of (2-methylpropan-2-yl)oxy-[2-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanol (CID 142041385) is (2-methylpropan-2-yl)oxy-[2-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanol.
What is the SMILES notation for (2-methylpropan-2-yl)oxy-[2-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanol?
The canonical SMILES for (2-methylpropan-2-yl)oxy-[2-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanol is CC1CCN(CC2CCCN2C(O)OC(C)(C)C)C1.
What is the InChIKey of (2-methylpropan-2-yl)oxy-[2-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanol?
The InChIKey is VXFXXODGPHLXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12-7-9-16(10-12)11-13-6-5-8-17(13)14(18)19-15(2,3)4/h12-14,18H,5-11H2,1-4H3.
What are the key properties of (2-methylpropan-2-yl)oxy-[2-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanol?
(2-methylpropan-2-yl)oxy-[2-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanol has a molecular weight of 270.42 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxy-[2-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]methanol is sourced from PubChem (CID 142041385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).