tert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid

C38H77F3N8O10 — CID 157136200

IUPACtert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)OC(=O)NCCN1CCOCC1.CN(CCN1CCOCC1)C(=O)OC(C)(C)C.CNCCN1CCOCC1.NCCN1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H24N2O3.C11H22N2O3.C7H16N2O.C6H14N2O.C2HF3O2/c1-12(2,3)17-11(15)13(4)5-6-14-7-9-16-10-8-14;1-11(2,3)16-10(14)12-4-5-13-6-8-15-9-7-13;1-8-2-3-9-4-6-10-7-5-9;7-1-2-8-3-5-9-6-4-8;3-2(4,5)1(6)7/h5-10H2,1-4H3;4-9H2,1-3H3,(H,12,14);8H,2-7H2,1H3;1-7H2;(H,6,7)
InChIKeyUBKHQDUYZAXSOG-UHFFFAOYSA-N
MW863.07 g/mol
LogP1.48
Rot. Bonds11

About tert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid

tert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid (PubChem CID 157136200) has the molecular formula C38H77F3N8O10 and a molecular weight of 863.07 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid
PubChem CID157136200
Molecular FormulaC38H77F3N8O10
Molecular Weight863.07 g/mol
Exact Mass862.57
IUPAC Nametert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)OC(=O)NCCN1CCOCC1.CN(CCN1CCOCC1)C(=O)OC(C)(C)C.CNCCN1CCOCC1.NCCN1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H24N2O3.C11H22N2O3.C7H16N2O.C6H14N2O.C2HF3O2/c1-12(2,3)17-11(15)13(4)5-6-14-7-9-16-10-8-14;1-11(2,3)16-10(14)12-4-5-13-6-8-15-9-7-13;1-8-2-3-9-4-6-10-7-5-9;7-1-2-8-3-5-9-6-4-8;3-2(4,5)1(6)7/h5-10H2,1-4H3;4-9H2,1-3H3,(H,12,14);8H,2-7H2,1H3;1-7H2;(H,6,7)
InChIKeyUBKHQDUYZAXSOG-UHFFFAOYSA-N
XLogP1.48
TPSA193.10 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.07
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze tert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate;N-methyl-2-piperidin-1-ylethanamine;2-piperidin-1-ylethanamine;2,2,2-trifluoroacetic acid
CID 158545492
tert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid
CID 160459123
tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5R)-3,4,5-trimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine;2,2,2-trifluoroacetic acid;(2S,6R)-1,2,6-trimethylpiperazine
CID 160606435
Tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butyl-4-(trifluoromethyl)piperazine
CID 167710113
tert-butyl 4-methylpiperazine-1-carboxylate;2-methoxy-N-methylethanamine;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone
CID 157527202
Tert-butyl 4-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate;ethyl 2-piperazin-1-ylacetate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 159476106

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of tert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid (CID 157136200) is tert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for tert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for tert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid is CC(C)(C)OC(=O)NCCN1CCOCC1.CN(CCN1CCOCC1)C(=O)OC(C)(C)C.CNCCN1CCOCC1.NCCN1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of tert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is UBKHQDUYZAXSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3.C11H22N2O3.C7H16N2O.C6H14N2O.C2HF3O2/c1-12(2,3)17-11(15)13(4)5-6-14-7-9-16-10-8-14;1-11(2,3)16-10(14)12-4-5-13-6-8-15-9-7-13;1-8-2-3-9-4-6-10-7-5-9;7-1-2-8-3-5-9-6-4-8;3-2(4,5)1(6)7/h5-10H2,1-4H3;4-9H2,1-3H3,(H,12,14);8H,2-7H2,1H3;1-7H2;(H,6,7).
What are the key properties of tert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid?
tert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 863.07 g/mol, XLogP of 1.48, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157136200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).