tert-butyl 3-[2-[[(E)-pent-3-enyl]amino]propyl]morpholine-4-carboxylate

C17H32N2O3 — CID 104861283

IUPACtert-butyl 3-[2-[[(E)-pent-3-enyl]amino]propyl]morpholine-4-carboxylate
SMILESC/C=C/CCNC(C)CC1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O3/c1-6-7-8-9-18-14(2)12-15-13-21-11-10-19(15)16(20)22-17(3,4)5/h6-7,14-15,18H,8-13H2,1-5H3/b7-6+
InChIKeyYTFRPGAWJOFQQL-VOTSOKGWSA-N
MW312.45 g/mol
LogP2.96
Rot. Bonds6

About tert-butyl 3-[2-[[(E)-pent-3-enyl]amino]propyl]morpholine-4-carboxylate

tert-butyl 3-[2-[[(E)-pent-3-enyl]amino]propyl]morpholine-4-carboxylate (PubChem CID 104861283) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl 3-[2-[[(E)-pent-3-enyl]amino]propyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[[(E)-pent-3-enyl]amino]propyl]morpholine-4-carboxylate
PubChem CID104861283
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl 3-[2-[[(E)-pent-3-enyl]amino]propyl]morpholine-4-carboxylate
SMILESC/C=C/CCNC(C)CC1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O3/c1-6-7-8-9-18-14(2)12-15-13-21-11-10-19(15)16(20)22-17(3,4)5/h6-7,14-15,18H,8-13H2,1-5H3/b7-6+
InChIKeyYTFRPGAWJOFQQL-VOTSOKGWSA-N
XLogP2.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[[(E)-pent-3-enyl]amino]propyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[2-[[(E)-pent-3-enyl]amino]propyl]morpholine-4-carboxylate (CID 104861283) is tert-butyl 3-[2-[[(E)-pent-3-enyl]amino]propyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[[(E)-pent-3-enyl]amino]propyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[[(E)-pent-3-enyl]amino]propyl]morpholine-4-carboxylate is C/C=C/CCNC(C)CC1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[2-[[(E)-pent-3-enyl]amino]propyl]morpholine-4-carboxylate?
The InChIKey is YTFRPGAWJOFQQL-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-6-7-8-9-18-14(2)12-15-13-21-11-10-19(15)16(20)22-17(3,4)5/h6-7,14-15,18H,8-13H2,1-5H3/b7-6+.
What are the key properties of tert-butyl 3-[2-[[(E)-pent-3-enyl]amino]propyl]morpholine-4-carboxylate?
tert-butyl 3-[2-[[(E)-pent-3-enyl]amino]propyl]morpholine-4-carboxylate has a molecular weight of 312.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[[(E)-pent-3-enyl]amino]propyl]morpholine-4-carboxylate is sourced from PubChem (CID 104861283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).