[1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol

C12H24N2O2 — CID 103061041

IUPAC[1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CC2COCCC2N)C1CO
InChIInChI=1S/C12H24N2O2/c1-9-2-4-14(12(9)7-15)6-10-8-16-5-3-11(10)13/h9-12,15H,2-8,13H2,1H3
InChIKeyJAFXUSKZAGHJTD-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.05
Rot. Bonds3

About [1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 103061041) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID103061041
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name[1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CC2COCCC2N)C1CO
InChIInChI=1S/C12H24N2O2/c1-9-2-4-14(12(9)7-15)6-10-8-16-5-3-11(10)13/h9-12,15H,2-8,13H2,1H3
InChIKeyJAFXUSKZAGHJTD-UHFFFAOYSA-N
XLogP0.05
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol (CID 103061041) is [1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(CC2COCCC2N)C1CO.
What is the InChIKey of [1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is JAFXUSKZAGHJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-2-4-14(12(9)7-15)6-10-8-16-5-3-11(10)13/h9-12,15H,2-8,13H2,1H3.
What are the key properties of [1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 228.34 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 103061041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).