[1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine

C13H25N3O — CID 79521433

IUPAC[1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine
SMILESNCC1(N2CCC(N3CCOCC3)C2)CCC1
InChIInChI=1S/C13H25N3O/c14-11-13(3-1-4-13)16-5-2-12(10-16)15-6-8-17-9-7-15/h12H,1-11,14H2
InChIKeyRELQENYDRGTJJE-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.27
Rot. Bonds3

About [1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine

[1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine (PubChem CID 79521433) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is [1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine
PubChem CID79521433
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name[1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine
SMILESNCC1(N2CCC(N3CCOCC3)C2)CCC1
InChIInChI=1S/C13H25N3O/c14-11-13(3-1-4-13)16-5-2-12(10-16)15-6-8-17-9-7-15/h12H,1-11,14H2
InChIKeyRELQENYDRGTJJE-UHFFFAOYSA-N
XLogP0.27
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopropyl]methanamine
CID 106661223
[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)oxan-4-yl]methanamine
CID 55166748
[3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 63169895
[2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 79834112
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclooctyl]methanamine
CID 79937680
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopropyl]methanamine
CID 106661320
[3,3-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 80705889
[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-methylazepan-4-yl]methanamine
CID 65074994
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylcycloheptyl]methanamine
CID 79932335
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylcyclohexyl]methanamine
CID 79932848
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylcyclohexyl]methanamine
CID 79932333
[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-methylpiperidin-4-yl]methanamine
CID 79932682

Frequently Asked Questions

What is the IUPAC name of [1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine (CID 79521433) is [1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine is NCC1(N2CCC(N3CCOCC3)C2)CCC1.
What is the InChIKey of [1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine?
The InChIKey is RELQENYDRGTJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-11-13(3-1-4-13)16-5-2-12(10-16)15-6-8-17-9-7-15/h12H,1-11,14H2.
What are the key properties of [1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine?
[1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine has a molecular weight of 239.36 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine is sourced from PubChem (CID 79521433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).