N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine

C11H22N2O — CID 63712222

IUPACN-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine
SMILESCNC1CCN(CC2CCOCC2)C1
InChIInChI=1S/C11H22N2O/c1-12-11-2-5-13(9-11)8-10-3-6-14-7-4-10/h10-12H,2-9H2,1H3
InChIKeyCZLFPWNCHGCRFZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds3

About N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine

N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine (PubChem CID 63712222) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine
PubChem CID63712222
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine
SMILESCNC1CCN(CC2CCOCC2)C1
InChIInChI=1S/C11H22N2O/c1-12-11-2-5-13(9-11)8-10-3-6-14-7-4-10/h10-12H,2-9H2,1H3
InChIKeyCZLFPWNCHGCRFZ-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-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine (CID 63712222) is N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine is CNC1CCN(CC2CCOCC2)C1.
What is the InChIKey of N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine?
The InChIKey is CZLFPWNCHGCRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-11-2-5-13(9-11)8-10-3-6-14-7-4-10/h10-12H,2-9H2,1H3.
What are the key properties of N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine?
N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-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-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 63712222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).