N,N-dimethyl-2-(methyliminomethyliminomethylamino)prop-2-enamide

C8H14N4O — CID 118973235

IUPACN,N-dimethyl-2-(methyliminomethyliminomethylamino)prop-2-enamide
SMILESC=C(N/C=N/C=N/C)C(=O)N(C)C
InChIInChI=1S/C8H14N4O/c1-7(8(13)12(3)4)11-6-10-5-9-2/h5-6H,1H2,2-4H3,(H,9,10,11)
InChIKeyMBSCRBFJIMUMEZ-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.14
Rot. Bonds4

About N,N-dimethyl-2-(methyliminomethyliminomethylamino)prop-2-enamide

N,N-dimethyl-2-(methyliminomethyliminomethylamino)prop-2-enamide (PubChem CID 118973235) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N,N-dimethyl-2-(methyliminomethyliminomethylamino)prop-2-enamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(methyliminomethyliminomethylamino)prop-2-enamide
PubChem CID118973235
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN,N-dimethyl-2-(methyliminomethyliminomethylamino)prop-2-enamide
SMILESC=C(N/C=N/C=N/C)C(=O)N(C)C
InChIInChI=1S/C8H14N4O/c1-7(8(13)12(3)4)11-6-10-5-9-2/h5-6H,1H2,2-4H3,(H,9,10,11)
InChIKeyMBSCRBFJIMUMEZ-UHFFFAOYSA-N
XLogP-0.14
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(methyliminomethyliminomethylamino)prop-2-enamide?
The IUPAC name of N,N-dimethyl-2-(methyliminomethyliminomethylamino)prop-2-enamide (CID 118973235) is N,N-dimethyl-2-(methyliminomethyliminomethylamino)prop-2-enamide.
What is the SMILES notation for N,N-dimethyl-2-(methyliminomethyliminomethylamino)prop-2-enamide?
The canonical SMILES for N,N-dimethyl-2-(methyliminomethyliminomethylamino)prop-2-enamide is C=C(N/C=N/C=N/C)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(methyliminomethyliminomethylamino)prop-2-enamide?
The InChIKey is MBSCRBFJIMUMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-7(8(13)12(3)4)11-6-10-5-9-2/h5-6H,1H2,2-4H3,(H,9,10,11).
What are the key properties of N,N-dimethyl-2-(methyliminomethyliminomethylamino)prop-2-enamide?
N,N-dimethyl-2-(methyliminomethyliminomethylamino)prop-2-enamide has a molecular weight of 182.23 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(methyliminomethyliminomethylamino)prop-2-enamide is sourced from PubChem (CID 118973235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).