1-(4-but-2-ynylmorpholin-2-yl)ethanamine

C10H18N2O — CID 115315665

IUPAC1-(4-but-2-ynylmorpholin-2-yl)ethanamine
SMILESCC#CCN1CCOC(C(C)N)C1
InChIInChI=1S/C10H18N2O/c1-3-4-5-12-6-7-13-10(8-12)9(2)11/h9-10H,5-8,11H2,1-2H3
InChIKeyVDGSPKRYAYSGMZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.06
Rot. Bonds2

About 1-(4-but-2-ynylmorpholin-2-yl)ethanamine

1-(4-but-2-ynylmorpholin-2-yl)ethanamine (PubChem CID 115315665) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(4-but-2-ynylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-but-2-ynylmorpholin-2-yl)ethanamine
PubChem CID115315665
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(4-but-2-ynylmorpholin-2-yl)ethanamine
SMILESCC#CCN1CCOC(C(C)N)C1
InChIInChI=1S/C10H18N2O/c1-3-4-5-12-6-7-13-10(8-12)9(2)11/h9-10H,5-8,11H2,1-2H3
InChIKeyVDGSPKRYAYSGMZ-UHFFFAOYSA-N
XLogP0.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-but-2-ynylmorpholin-2-yl)ethanamine?
The IUPAC name of 1-(4-but-2-ynylmorpholin-2-yl)ethanamine (CID 115315665) is 1-(4-but-2-ynylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 1-(4-but-2-ynylmorpholin-2-yl)ethanamine?
The canonical SMILES for 1-(4-but-2-ynylmorpholin-2-yl)ethanamine is CC#CCN1CCOC(C(C)N)C1.
What is the InChIKey of 1-(4-but-2-ynylmorpholin-2-yl)ethanamine?
The InChIKey is VDGSPKRYAYSGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-4-5-12-6-7-13-10(8-12)9(2)11/h9-10H,5-8,11H2,1-2H3.
What are the key properties of 1-(4-but-2-ynylmorpholin-2-yl)ethanamine?
1-(4-but-2-ynylmorpholin-2-yl)ethanamine has a molecular weight of 182.27 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-2-ynylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 115315665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).