N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine

C12H24N2O — CID 82836649

IUPACN-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCC1CCC(CNCC2CCN(C)C2)O1
InChIInChI=1S/C12H24N2O/c1-10-3-4-12(15-10)8-13-7-11-5-6-14(2)9-11/h10-13H,3-9H2,1-2H3
InChIKeyQJLWIYPHZJVDIH-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds4

About N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine

N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (PubChem CID 82836649) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
PubChem CID82836649
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCC1CCC(CNCC2CCN(C)C2)O1
InChIInChI=1S/C12H24N2O/c1-10-3-4-12(15-10)8-13-7-11-5-6-14(2)9-11/h10-13H,3-9H2,1-2H3
InChIKeyQJLWIYPHZJVDIH-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine
CID 82835243
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 82835850
N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 82836268
1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine
CID 106120936
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 82836463
1-(1-methylpyrrolidin-3-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine
CID 102896883
2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836481
N-methyl-2-[(5-methyloxolan-2-yl)methylamino]acetamide
CID 82833793
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 81330041
1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine
CID 82835069

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (CID 82836649) is N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is CC1CCC(CNCC2CCN(C)C2)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is QJLWIYPHZJVDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-3-4-12(15-10)8-13-7-11-5-6-14(2)9-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 82836649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).