(2E)-3-imino-2-(2-imino-4-methylmorpholin-3-ylidene)-N,N-dimethylpropanamide

C10H16N4O2 — CID 118104238

IUPAC(2E)-3-imino-2-(2-imino-4-methylmorpholin-3-ylidene)-N,N-dimethylpropanamide
SMILES[H]/N=C1\OCCN(C)\C1=C(/C=N/[H])C(=O)N(C)C
InChIInChI=1S/C10H16N4O2/c1-13(2)10(15)7(6-11)8-9(12)16-5-4-14(8)3/h6,11-12H,4-5H2,1-3H3/b8-7+,11-6+,12-9-
InChIKeyDKSIIAIXKOHHSI-AFFUBBCMSA-N
MW224.26 g/mol
LogP-0.08
Rot. Bonds2

About (2E)-3-imino-2-(2-imino-4-methylmorpholin-3-ylidene)-N,N-dimethylpropanamide

(2E)-3-imino-2-(2-imino-4-methylmorpholin-3-ylidene)-N,N-dimethylpropanamide (PubChem CID 118104238) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2E)-3-imino-2-(2-imino-4-methylmorpholin-3-ylidene)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2E)-3-imino-2-(2-imino-4-methylmorpholin-3-ylidene)-N,N-dimethylpropanamide
PubChem CID118104238
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(2E)-3-imino-2-(2-imino-4-methylmorpholin-3-ylidene)-N,N-dimethylpropanamide
SMILES[H]/N=C1\OCCN(C)\C1=C(/C=N/[H])C(=O)N(C)C
InChIInChI=1S/C10H16N4O2/c1-13(2)10(15)7(6-11)8-9(12)16-5-4-14(8)3/h6,11-12H,4-5H2,1-3H3/b8-7+,11-6+,12-9-
InChIKeyDKSIIAIXKOHHSI-AFFUBBCMSA-N
XLogP-0.08
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-imino-2-(2-imino-4-methylmorpholin-3-ylidene)-N,N-dimethylpropanamide?
The IUPAC name of (2E)-3-imino-2-(2-imino-4-methylmorpholin-3-ylidene)-N,N-dimethylpropanamide (CID 118104238) is (2E)-3-imino-2-(2-imino-4-methylmorpholin-3-ylidene)-N,N-dimethylpropanamide.
What is the SMILES notation for (2E)-3-imino-2-(2-imino-4-methylmorpholin-3-ylidene)-N,N-dimethylpropanamide?
The canonical SMILES for (2E)-3-imino-2-(2-imino-4-methylmorpholin-3-ylidene)-N,N-dimethylpropanamide is [H]/N=C1\OCCN(C)\C1=C(/C=N/[H])C(=O)N(C)C.
What is the InChIKey of (2E)-3-imino-2-(2-imino-4-methylmorpholin-3-ylidene)-N,N-dimethylpropanamide?
The InChIKey is DKSIIAIXKOHHSI-AFFUBBCMSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-13(2)10(15)7(6-11)8-9(12)16-5-4-14(8)3/h6,11-12H,4-5H2,1-3H3/b8-7+,11-6+,12-9-.
What are the key properties of (2E)-3-imino-2-(2-imino-4-methylmorpholin-3-ylidene)-N,N-dimethylpropanamide?
(2E)-3-imino-2-(2-imino-4-methylmorpholin-3-ylidene)-N,N-dimethylpropanamide has a molecular weight of 224.26 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-imino-2-(2-imino-4-methylmorpholin-3-ylidene)-N,N-dimethylpropanamide is sourced from PubChem (CID 118104238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).