1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine

C15H31N3O — CID 79313272

IUPAC1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
SMILESCCN1CCCC1CN(C)CC1(CNC)CCOC1
InChIInChI=1S/C15H31N3O/c1-4-18-8-5-6-14(18)10-17(3)12-15(11-16-2)7-9-19-13-15/h14,16H,4-13H2,1-3H3
InChIKeyMBOCWPISAQTXGW-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds7

About 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine

1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine (PubChem CID 79313272) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
PubChem CID79313272
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
SMILESCCN1CCCC1CN(C)CC1(CNC)CCOC1
InChIInChI=1S/C15H31N3O/c1-4-18-8-5-6-14(18)10-17(3)12-15(11-16-2)7-9-19-13-15/h14,16H,4-13H2,1-3H3
InChIKeyMBOCWPISAQTXGW-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79313345
N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine
CID 62889038
N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79319761
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(oxan-3-yl)methanamine
CID 55226831
N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1-(oxan-4-yl)methanamine
CID 63742121
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine
CID 63211209
1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62392836
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62262539
N-[[3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 63234760
N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 83061995
N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63631988
N-[[3-[[cyclobutylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 62862414

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine (CID 79313272) is 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine is CCN1CCCC1CN(C)CC1(CNC)CCOC1.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine?
The InChIKey is MBOCWPISAQTXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-18-8-5-6-14(18)10-17(3)12-15(11-16-2)7-9-19-13-15/h14,16H,4-13H2,1-3H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine?
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine has a molecular weight of 269.43 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine is sourced from PubChem (CID 79313272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).