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

C11H22N2O — CID 60855751

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]oxan-4-amine
SMILESCN1CCC(CNC2CCOCC2)C1
InChIInChI=1S/C11H22N2O/c1-13-5-2-10(9-13)8-12-11-3-6-14-7-4-11/h10-12H,2-9H2,1H3
InChIKeyKPHLLHCECRMMCI-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds3

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

N-[(1-methylpyrrolidin-3-yl)methyl]oxan-4-amine (PubChem CID 60855751) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]oxan-4-amine
PubChem CID60855751
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]oxan-4-amine
SMILESCN1CCC(CNC2CCOCC2)C1
InChIInChI=1S/C11H22N2O/c1-13-5-2-10(9-13)8-12-11-3-6-14-7-4-11/h10-12H,2-9H2,1H3
InChIKeyKPHLLHCECRMMCI-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]oxan-4-amine (CID 60855751) is N-[(1-methylpyrrolidin-3-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]oxan-4-amine is CN1CCC(CNC2CCOCC2)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]oxan-4-amine?
The InChIKey is KPHLLHCECRMMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-13-5-2-10(9-13)8-12-11-3-6-14-7-4-11/h10-12H,2-9H2,1H3.
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]oxan-4-amine?
N-[(1-methylpyrrolidin-3-yl)methyl]oxan-4-amine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]oxan-4-amine is sourced from PubChem (CID 60855751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).