N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine

C15H31N3O — CID 63167734

IUPACN-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine
SMILESCCNCC(C(C)C)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H31N3O/c1-4-16-11-15(13(2)3)18-6-5-14(12-18)17-7-9-19-10-8-17/h13-16H,4-12H2,1-3H3
InChIKeyMLAFTWWKPDQERV-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds6

About N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine

N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine (PubChem CID 63167734) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine
PubChem CID63167734
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine
SMILESCCNCC(C(C)C)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H31N3O/c1-4-16-11-15(13(2)3)18-6-5-14(12-18)17-7-9-19-10-8-17/h13-16H,4-12H2,1-3H3
InChIKeyMLAFTWWKPDQERV-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63167252
2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 63167437
3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine
CID 63169744
3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine
CID 79170163
N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine
CID 63167031
N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine
CID 63167933
formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine
CID 169177347
3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol
CID 114357241
3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 103226527
N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine
CID 63167885
N-ethyl-N'-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727978
2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine
CID 62413694

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine (CID 63167734) is N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine is CCNCC(C(C)C)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine?
The InChIKey is MLAFTWWKPDQERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-16-11-15(13(2)3)18-6-5-14(12-18)17-7-9-19-10-8-17/h13-16H,4-12H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine?
N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 63167734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).