N,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine

C15H31N3O — CID 63166921

IUPACN,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CC2CCC(CNC)O2)C1
InChIInChI=1S/C15H31N3O/c1-4-18(5-2)13-8-9-17(11-13)12-15-7-6-14(19-15)10-16-3/h13-16H,4-12H2,1-3H3
InChIKeyOGFLEQLQPJPEMS-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.17
Rot. Bonds7

About N,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine

N,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine (PubChem CID 63166921) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine
PubChem CID63166921
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CC2CCC(CNC)O2)C1
InChIInChI=1S/C15H31N3O/c1-4-18(5-2)13-8-9-17(11-13)12-15-7-6-14(19-15)10-16-3/h13-16H,4-12H2,1-3H3
InChIKeyOGFLEQLQPJPEMS-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(3-methoxypyrrolidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine
CID 103539697
N-methyl-1-[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methanamine
CID 62437708
1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62412100
N,N-diethyl-1-[3-(methylamino)propyl]pyrrolidin-3-amine
CID 63164683
N,N-dimethyl-1-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]pyrrolidin-3-amine
CID 55157989
N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine
CID 55140178
1-[(4-aminocyclohexyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 63536288
N,N-diethyl-1-[2-methyl-3-(methylamino)propyl]pyrrolidin-3-amine
CID 63166631
N-methyl-1-[5-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxolan-2-yl]methanamine
CID 62436334
N,N-diethyl-1-[[2-(propylamino)cyclopentyl]methyl]pyrrolidin-3-amine
CID 63169213
1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62433914
1-[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62888537

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine (CID 63166921) is N,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine is CCN(CC)C1CCN(CC2CCC(CNC)O2)C1.
What is the InChIKey of N,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine?
The InChIKey is OGFLEQLQPJPEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-18(5-2)13-8-9-17(11-13)12-15-7-6-14(19-15)10-16-3/h13-16H,4-12H2,1-3H3.
What are the key properties of N,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine?
N,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine has a molecular weight of 269.43 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[[5-(methylaminomethyl)oxolan-2-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 63166921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).