2-methyl-N-[[4-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine

C16H32N2O — CID 55066477

IUPAC2-methyl-N-[[4-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCC1CCN(CC2(CNC(C)(C)C)CCOCC2)C1
InChIInChI=1S/C16H32N2O/c1-14-5-8-18(11-14)13-16(6-9-19-10-7-16)12-17-15(2,3)4/h14,17H,5-13H2,1-4H3
InChIKeyVSILNEAGAMXRTG-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-N-[[4-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine

2-methyl-N-[[4-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine (PubChem CID 55066477) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
PubChem CID55066477
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-methyl-N-[[4-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCC1CCN(CC2(CNC(C)(C)C)CCOCC2)C1
InChIInChI=1S/C16H32N2O/c1-14-5-8-18(11-14)13-16(6-9-19-10-7-16)12-17-15(2,3)4/h14,17H,5-13H2,1-4H3
InChIKeyVSILNEAGAMXRTG-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine (CID 55066477) is 2-methyl-N-[[4-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine is CC1CCN(CC2(CNC(C)(C)C)CCOCC2)C1.
What is the InChIKey of 2-methyl-N-[[4-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The InChIKey is VSILNEAGAMXRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14-5-8-18(11-14)13-16(6-9-19-10-7-16)12-17-15(2,3)4/h14,17H,5-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
2-methyl-N-[[4-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 55066477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).