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

C24H52N6O5 — CID 161052358

IUPACtert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine
SMILESCC(C)(C)OC(=O)NCCN1CCOCC1.CNCCN1CCOCC1.NCCN1CCOCC1
InChIInChI=1S/C11H22N2O3.C7H16N2O.C6H14N2O/c1-11(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/h4-9H2,1-3H3,(H,12,14);8H,2-7H2,1H3;1-7H2
InChIKeyUCHMYACCACAMQL-UHFFFAOYSA-N
MW504.72 g/mol
LogP-0.34
Rot. Bonds8

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

tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine (PubChem CID 161052358) has the molecular formula C24H52N6O5 and a molecular weight of 504.72 g/mol. Its IUPAC name is tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine.

Molecular Properties

Compound Nametert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine
PubChem CID161052358
Molecular FormulaC24H52N6O5
Molecular Weight504.72 g/mol
Exact Mass504.40
IUPAC Nametert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine
SMILESCC(C)(C)OC(=O)NCCN1CCOCC1.CNCCN1CCOCC1.NCCN1CCOCC1
InChIInChI=1S/C11H22N2O3.C7H16N2O.C6H14N2O/c1-11(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/h4-9H2,1-3H3,(H,12,14);8H,2-7H2,1H3;1-7H2
InChIKeyUCHMYACCACAMQL-UHFFFAOYSA-N
XLogP-0.34
TPSA113.79 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.72
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Launch Full Analysis

Related Compounds

Tert-butyl 4-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate
CID 89939762
(2R,5S)-5-((3R,5R)-3,5-Dimethyl-morpholin-4-ylmethyl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
CID 90102002
tert-butyl (2R,5S)-5-[[(3R)-3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate
CID 90102372
tert-butyl (2R,5S)-5-[[3-(methoxymethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate
CID 90102373
tert-butyl (5S)-5-[[(3R)-3,5-dimethylmorpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylate
CID 90145882
tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate
CID 121401219
tert-Butyl (2-(2-(4-(2-(2-aminoethoxy)ethyl)piperazin-1-yl)ethoxy)ethyl)carbamate
CID 138694451
Tert-butyl piperazine-1-carboxylate;4-methylmorpholine
CID 144337420
Tert-butyl 4-[2-(2-piperazin-1-ylethoxy)ethyl]piperazine-1-carboxylate
CID 146223774
Dipotassium;tert-butyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazine;oxido formate
CID 157213728
tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[(methoxycarbonylamino)methyl]morpholine-4-carboxylate;methyl carbonochloridate;methyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 157472196
tert-butyl 4-methylpiperazine-1-carboxylate;2-methoxy-N-methylethanamine;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone
CID 157527202

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine?
The IUPAC name of tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine (CID 161052358) is tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine.
What is the SMILES notation for tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine?
The canonical SMILES for tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine is CC(C)(C)OC(=O)NCCN1CCOCC1.CNCCN1CCOCC1.NCCN1CCOCC1.
What is the InChIKey of tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine?
The InChIKey is UCHMYACCACAMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3.C7H16N2O.C6H14N2O/c1-11(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/h4-9H2,1-3H3,(H,12,14);8H,2-7H2,1H3;1-7H2.
What are the key properties of tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine?
tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine has a molecular weight of 504.72 g/mol, XLogP of -0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine is sourced from PubChem (CID 161052358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).