[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine

C12H24N2O — CID 62390573

IUPAC[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine
SMILESCC1CCCN1CC1(CN)CCOCC1
InChIInChI=1S/C12H24N2O/c1-11-3-2-6-14(11)10-12(9-13)4-7-15-8-5-12/h11H,2-10,13H2,1H3
InChIKeyWFAVBUZCUCTBSE-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.23
Rot. Bonds3

About [4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine

[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine (PubChem CID 62390573) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine
PubChem CID62390573
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine
SMILESCC1CCCN1CC1(CN)CCOCC1
InChIInChI=1S/C12H24N2O/c1-11-3-2-6-14(11)10-12(9-13)4-7-15-8-5-12/h11H,2-10,13H2,1H3
InChIKeyWFAVBUZCUCTBSE-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine?
The IUPAC name of [4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine (CID 62390573) is [4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine is CC1CCCN1CC1(CN)CCOCC1.
What is the InChIKey of [4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine?
The InChIKey is WFAVBUZCUCTBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11-3-2-6-14(11)10-12(9-13)4-7-15-8-5-12/h11H,2-10,13H2,1H3.
What are the key properties of [4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine?
[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine is sourced from PubChem (CID 62390573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).