tert-butyl 3-(1-amino-3-methylidenepentyl)morpholine-4-carboxylate

C15H28N2O3 — CID 103554370

IUPACtert-butyl 3-(1-amino-3-methylidenepentyl)morpholine-4-carboxylate
SMILESC=C(CC)CC(N)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-6-11(2)9-12(16)13-10-19-8-7-17(13)14(18)20-15(3,4)5/h12-13H,2,6-10,16H2,1,3-5H3
InChIKeyYLECNEMAAFYMQX-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.31
Rot. Bonds4

About tert-butyl 3-(1-amino-3-methylidenepentyl)morpholine-4-carboxylate

tert-butyl 3-(1-amino-3-methylidenepentyl)morpholine-4-carboxylate (PubChem CID 103554370) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl 3-(1-amino-3-methylidenepentyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-amino-3-methylidenepentyl)morpholine-4-carboxylate
PubChem CID103554370
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl 3-(1-amino-3-methylidenepentyl)morpholine-4-carboxylate
SMILESC=C(CC)CC(N)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-6-11(2)9-12(16)13-10-19-8-7-17(13)14(18)20-15(3,4)5/h12-13H,2,6-10,16H2,1,3-5H3
InChIKeyYLECNEMAAFYMQX-UHFFFAOYSA-N
XLogP2.31
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 3-(6-acetamidohex-1-en-2-yl)morpholine-4-carboxylate
CID 170013079
tert-butyl (3R)-3-(6-aminohex-1-en-2-yl)morpholine-4-carboxylate
CID 170020319
Tert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate
CID 103554336
Tert-butyl 3-(1-aminooctyl)morpholine-4-carboxylate
CID 103554338
Tert-butyl 3-(1-aminopent-4-enyl)morpholine-4-carboxylate
CID 103554366
Tert-butyl 3-(1-aminopentyl)morpholine-4-carboxylate
CID 103554386
Tert-butyl 3-(1-amino-2-methylprop-2-enyl)morpholine-4-carboxylate
CID 103554398
Tert-butyl 3-(1-aminononyl)morpholine-4-carboxylate
CID 103554432
Tert-butyl 3-(1-aminoheptyl)morpholine-4-carboxylate
CID 103554441
Tert-butyl 3-(1-amino-4-methylpent-4-enyl)morpholine-4-carboxylate
CID 103554464
Tert-butyl 3-(1-aminobutyl)morpholine-4-carboxylate
CID 103554467
Tert-butyl 3-(1-aminohexyl)morpholine-4-carboxylate
CID 103554473

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-amino-3-methylidenepentyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(1-amino-3-methylidenepentyl)morpholine-4-carboxylate (CID 103554370) is tert-butyl 3-(1-amino-3-methylidenepentyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-amino-3-methylidenepentyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(1-amino-3-methylidenepentyl)morpholine-4-carboxylate is C=C(CC)CC(N)C1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(1-amino-3-methylidenepentyl)morpholine-4-carboxylate?
The InChIKey is YLECNEMAAFYMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-11(2)9-12(16)13-10-19-8-7-17(13)14(18)20-15(3,4)5/h12-13H,2,6-10,16H2,1,3-5H3.
What are the key properties of tert-butyl 3-(1-amino-3-methylidenepentyl)morpholine-4-carboxylate?
tert-butyl 3-(1-amino-3-methylidenepentyl)morpholine-4-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.31, 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-amino-3-methylidenepentyl)morpholine-4-carboxylate is sourced from PubChem (CID 103554370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).