tert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate

C15H26N2O3 — CID 103554376

IUPACtert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate
SMILESC#CCCCC(N)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-5-6-7-8-12(16)13-11-19-10-9-17(13)14(18)20-15(2,3)4/h1,12-13H,6-11,16H2,2-4H3
InChIKeyBVYLAJSZDCQRGK-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.75
Rot. Bonds4

About tert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate

tert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate (PubChem CID 103554376) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate
PubChem CID103554376
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate
SMILESC#CCCCC(N)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-5-6-7-8-12(16)13-11-19-10-9-17(13)14(18)20-15(2,3)4/h1,12-13H,6-11,16H2,2-4H3
InChIKeyBVYLAJSZDCQRGK-UHFFFAOYSA-N
XLogP1.75
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[1-amino-2-(4-methylphenyl)ethyl]morpholine-4-carboxylate
CID 103554425
tert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate
CID 103554383
tert-butyl 3-[1-amino-2-(4-chlorophenyl)ethyl]morpholine-4-carboxylate
CID 103554529
tert-butyl 3-(1-hydroxyheptyl)morpholine-4-carboxylate
CID 103554147
2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pentanoic acid
CID 174175731
(2S)-2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pentanoic acid
CID 170738312
tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate
CID 178201481
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
tert-butyl 3-(2-cyanoacetyl)morpholine-4-carboxylate
CID 76668092
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate
CID 103553976
tert-butyl 3-nonanoylmorpholine-4-carboxylate
CID 103554093

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate (CID 103554376) is tert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate is C#CCCCC(N)C1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate?
The InChIKey is BVYLAJSZDCQRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-6-7-8-12(16)13-11-19-10-9-17(13)14(18)20-15(2,3)4/h1,12-13H,6-11,16H2,2-4H3.
What are the key properties of tert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate?
tert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-aminohex-5-ynyl)morpholine-4-carboxylate is sourced from PubChem (CID 103554376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).