2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate

C9H17N3O3 — CID 20754847

IUPAC2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate
SMILESC/C(N)=N/C(=O)OCCN1CCOCC1
InChIInChI=1S/C9H17N3O3/c1-8(10)11-9(13)15-7-4-12-2-5-14-6-3-12/h2-7H2,1H3,(H2,10,11,13)
InChIKeyHQTGSAKXIFLVEL-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.17
Rot. Bonds3

About 2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate

2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate (PubChem CID 20754847) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate
PubChem CID20754847
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate
SMILESC/C(N)=N/C(=O)OCCN1CCOCC1
InChIInChI=1S/C9H17N3O3/c1-8(10)11-9(13)15-7-4-12-2-5-14-6-3-12/h2-7H2,1H3,(H2,10,11,13)
InChIKeyHQTGSAKXIFLVEL-UHFFFAOYSA-N
XLogP-0.17
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 159132677
2-morpholin-4-ylethyl 2-bromo-2-methyl-3-oxobutanoate
CID 162508735
1-(2-morpholin-4-ylethoxy)ethenamine
CID 89172266
acetamide;2-morpholin-4-ylethanamine
CID 158022700
2-morpholin-4-ylethyl 2-bromoacetate
CID 118035535
2-morpholin-4-ylethyl 2-bromobutanoate
CID 118876089
2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate
CID 158502443
3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154646
2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154669
2-morpholin-4-ylethyl octanoate
CID 23118480

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate?
The IUPAC name of 2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate (CID 20754847) is 2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate.
What is the SMILES notation for 2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate?
The canonical SMILES for 2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate is C/C(N)=N/C(=O)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate?
The InChIKey is HQTGSAKXIFLVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-8(10)11-9(13)15-7-4-12-2-5-14-6-3-12/h2-7H2,1H3,(H2,10,11,13).
What are the key properties of 2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate?
2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate has a molecular weight of 215.25 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate is sourced from PubChem (CID 20754847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).