1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine

C13H27N3O — CID 113285074

IUPAC1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(CCCN2CCCC2)CCO1
InChIInChI=1S/C13H27N3O/c1-12(14)13-11-16(9-10-17-13)8-4-7-15-5-2-3-6-15/h12-13H,2-11,14H2,1H3
InChIKeyDOTZAEOZUKSMPE-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.52
Rot. Bonds5

About 1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine

1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine (PubChem CID 113285074) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine
PubChem CID113285074
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(CCCN2CCCC2)CCO1
InChIInChI=1S/C13H27N3O/c1-12(14)13-11-16(9-10-17-13)8-4-7-15-5-2-3-6-15/h12-13H,2-11,14H2,1H3
InChIKeyDOTZAEOZUKSMPE-UHFFFAOYSA-N
XLogP0.52
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propylmorpholin-2-yl)ethanamine
CID 79658084
4-[2-(1-aminoethyl)morpholin-4-yl]-N-methylbutanamide
CID 115315500
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholin-2-yl]ethanamine
CID 112590973
1-(4-but-2-ynylmorpholin-2-yl)ethanamine
CID 115315665
1-[[2-(1-aminoethyl)morpholin-4-yl]methyl]cyclopentan-1-ol
CID 115315434
1-[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]ethanamine
CID 115314919
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
2-propan-2-yl-4-propylmorpholine
CID 58468712
1-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]morpholin-2-yl]ethanamine
CID 81490775
1-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491103
1-[4-[2-(2-fluorophenoxy)ethyl]morpholin-2-yl]ethanamine
CID 81492284
1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine
CID 115315061

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine (CID 113285074) is 1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine is CC(N)C1CN(CCCN2CCCC2)CCO1.
What is the InChIKey of 1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine?
The InChIKey is DOTZAEOZUKSMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12(14)13-11-16(9-10-17-13)8-4-7-15-5-2-3-6-15/h12-13H,2-11,14H2,1H3.
What are the key properties of 1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine?
1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine has a molecular weight of 241.38 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 113285074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).