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

C13H26N2O — CID 63740313

IUPACN-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine
SMILESCNCC1(CN2CCC(C)C2)CCCOC1
InChIInChI=1S/C13H26N2O/c1-12-4-6-15(8-12)10-13(9-14-2)5-3-7-16-11-13/h12,14H,3-11H2,1-2H3
InChIKeyZRTFRJBKVPHEAT-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.34
Rot. Bonds4

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

N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine (PubChem CID 63740313) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine
PubChem CID63740313
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine
SMILESCNCC1(CN2CCC(C)C2)CCCOC1
InChIInChI=1S/C13H26N2O/c1-12-4-6-15(8-12)10-13(9-14-2)5-3-7-16-11-13/h12,14H,3-11H2,1-2H3
InChIKeyZRTFRJBKVPHEAT-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine (CID 63740313) is N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine is CNCC1(CN2CCC(C)C2)CCCOC1.
What is the InChIKey of N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine?
The InChIKey is ZRTFRJBKVPHEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12-4-6-15(8-12)10-13(9-14-2)5-3-7-16-11-13/h12,14H,3-11H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine?
N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine is sourced from PubChem (CID 63740313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).