ethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate

C19H37N3O3 — CID 142228089

IUPACethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
SMILESCC.CC(C)(C)/C(=N/C(=O)OCCCN1CCCC1)N1CCOCC1
InChIInChI=1S/C17H31N3O3.C2H6/c1-17(2,3)15(20-10-13-22-14-11-20)18-16(21)23-12-6-9-19-7-4-5-8-19;1-2/h4-14H2,1-3H3;1-2H3/b18-15-;
InChIKeyJHBWUYVISRJGJS-MWIGPOFTSA-N
MW355.52 g/mol
LogP3.41
Rot. Bonds4

About ethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate

ethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate (PubChem CID 142228089) has the molecular formula C19H37N3O3 and a molecular weight of 355.52 g/mol. Its IUPAC name is ethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate.

Molecular Properties

Compound Nameethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
PubChem CID142228089
Molecular FormulaC19H37N3O3
Molecular Weight355.52 g/mol
Exact Mass355.28
IUPAC Nameethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
SMILESCC.CC(C)(C)/C(=N/C(=O)OCCCN1CCCC1)N1CCOCC1
InChIInChI=1S/C17H31N3O3.C2H6/c1-17(2,3)15(20-10-13-22-14-11-20)18-16(21)23-12-6-9-19-7-4-5-8-19;1-2/h4-14H2,1-3H3;1-2H3/b18-15-;
InChIKeyJHBWUYVISRJGJS-MWIGPOFTSA-N
XLogP3.41
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 22973017
3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148456
3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154646
2-methylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 59040980
2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate
CID 158258538
oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148449
(1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 72625281
oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148450
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate
CID 20754847
oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate
CID 11151722
2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154669

Frequently Asked Questions

What is the IUPAC name of ethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
The IUPAC name of ethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate (CID 142228089) is ethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate.
What is the SMILES notation for ethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
The canonical SMILES for ethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate is CC.CC(C)(C)/C(=N/C(=O)OCCCN1CCCC1)N1CCOCC1.
What is the InChIKey of ethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
The InChIKey is JHBWUYVISRJGJS-MWIGPOFTSA-N. The full InChI is InChI=1S/C17H31N3O3.C2H6/c1-17(2,3)15(20-10-13-22-14-11-20)18-16(21)23-12-6-9-19-7-4-5-8-19;1-2/h4-14H2,1-3H3;1-2H3/b18-15-;.
What are the key properties of ethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate?
ethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate has a molecular weight of 355.52 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate is sourced from PubChem (CID 142228089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).