N'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide

C12H22N4O2 — CID 56955406

IUPACN'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C(=C/N(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C12H22N4O2/c1-14(2)9-11(13-10-15(3)4)12(17)16-5-7-18-8-6-16/h9-10H,5-8H2,1-4H3/b11-9+,13-10+
InChIKeyKAJFGQIZALJXQF-HOJJKJLFSA-N
MW254.33 g/mol
LogP-0.16
Rot. Bonds4

About N'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide

N'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 56955406) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide
PubChem CID56955406
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C(=C/N(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C12H22N4O2/c1-14(2)9-11(13-10-15(3)4)12(17)16-5-7-18-8-6-16/h9-10H,5-8H2,1-4H3/b11-9+,13-10+
InChIKeyKAJFGQIZALJXQF-HOJJKJLFSA-N
XLogP-0.16
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5z)-2,3-Dimethyl-5-(morpholin-4-ylmethylidene)-3,5-dihydro-4h-imidazol-4-one
CID 154700620
(5z)-2-Ethyl-3-methyl-5-(morpholin-4-ylmethylidene)-3,5-dihydro-4h-imidazol-4-one
CID 154700627
(E)-1-morpholin-4-yl-3-pyrrolidin-1-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one
CID 56955125
(E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one
CID 56955404
N,N-dimethyl-N'-[(E)-3-morpholin-4-yl-3-oxo-1-pyrrolidin-1-ylprop-1-en-2-yl]methanimidamide
CID 56955405
(Z)-1-morpholin-4-yl-3-pyrrolidin-1-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one
CID 101562573
5-Amino-1-(2-morpholin-4-ylethyl)pyrimidin-4-one
CID 115114554
3-(2-Morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 115679457
3-[2-(Morpholin-4-yl)ethyl]-3,4-dihydropyrimidin-4-one
CID 115696892
6-Methyl-3-[2-(morpholin-4-yl)ethyl]-3,4-dihydropyrimidin-4-one
CID 126857522

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide (CID 56955406) is N'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/C(=C/N(C)C)C(=O)N1CCOCC1.
What is the InChIKey of N'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is KAJFGQIZALJXQF-HOJJKJLFSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-14(2)9-11(13-10-15(3)4)12(17)16-5-7-18-8-6-16/h9-10H,5-8H2,1-4H3/b11-9+,13-10+.
What are the key properties of N'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide?
N'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 254.33 g/mol, XLogP of -0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 56955406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).