2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine

C13H22N2O — CID 145197774

IUPAC2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(/C=N/C(=C)C)CN1CCOCC1(C)C
InChIInChI=1S/C13H22N2O/c1-11(2)14-8-12(3)9-15-6-7-16-10-13(15,4)5/h8H,1,3,6-7,9-10H2,2,4-5H3/b14-8+
InChIKeyPNPGSEOZPNQOJZ-RIYZIHGNSA-N
MW222.33 g/mol
LogP2.26
Rot. Bonds4

About 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine

2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine (PubChem CID 145197774) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine.

Molecular Properties

Compound Name2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
PubChem CID145197774
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(/C=N/C(=C)C)CN1CCOCC1(C)C
InChIInChI=1S/C13H22N2O/c1-11(2)14-8-12(3)9-15-6-7-16-10-13(15,4)5/h8H,1,3,6-7,9-10H2,2,4-5H3/b14-8+
InChIKeyPNPGSEOZPNQOJZ-RIYZIHGNSA-N
XLogP2.26
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine
CID 103069720
4-[(E)-3-chloroprop-2-enyl]-3,3-dimethylmorpholine
CID 131232394
(2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol
CID 103935066
3-(3,3-dimethylmorpholin-4-yl)propan-1-ol
CID 54352391
ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197718
4-(cyclobutylmethyl)-3,3-dimethylmorpholine
CID 127377423
4-(3,3-dimethylmorpholin-4-yl)but-2-enoic acid
CID 76940682
4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine
CID 66472303
2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 61432707
2-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine
CID 137062612
4-(4-bromobutyl)-3,3-dimethylmorpholine
CID 61430684
1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol
CID 113317478

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine?
The IUPAC name of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine (CID 145197774) is 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine.
What is the SMILES notation for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine?
The canonical SMILES for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine is C=C(/C=N/C(=C)C)CN1CCOCC1(C)C.
What is the InChIKey of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine?
The InChIKey is PNPGSEOZPNQOJZ-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)14-8-12(3)9-15-6-7-16-10-13(15,4)5/h8H,1,3,6-7,9-10H2,2,4-5H3/b14-8+.
What are the key properties of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine?
2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine has a molecular weight of 222.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine is sourced from PubChem (CID 145197774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).