N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane

C12H25N3O — CID 177229966

IUPACN-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane
SMILESC=C/C(=N\N(C)C)NC(=O)C(C)(C)C.CC
InChIInChI=1S/C10H19N3O.C2H6/c1-7-8(12-13(5)6)11-9(14)10(2,3)4;1-2/h7H,1H2,2-6H3,(H,11,12,14);1-2H3
InChIKeyNSYDCMWWGRRTNI-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.24
Rot. Bonds2

About N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane

N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane (PubChem CID 177229966) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane.

Molecular Properties

Compound NameN-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane
PubChem CID177229966
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane
SMILESC=C/C(=N\N(C)C)NC(=O)C(C)(C)C.CC
InChIInChI=1S/C10H19N3O.C2H6/c1-7-8(12-13(5)6)11-9(14)10(2,3)4;1-2/h7H,1H2,2-6H3,(H,11,12,14);1-2H3
InChIKeyNSYDCMWWGRRTNI-UHFFFAOYSA-N
XLogP2.24
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide
CID 135603698
2,2-dimethyl-N-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]propanamide
CID 142236858
2,2-dimethyl-N-prop-1-en-2-ylpropanamide
CID 89153386
N-(but-3-en-2-ylideneamino)-N-methylmethanamine
CID 535821
2,2-dimethyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]propanamide
CID 142174793
(1E)-N,N-dimethylprop-2-enehydrazonoyl chloride
CID 166849863
N-(tert-butylcarbamoyl)-2,2-dimethylpropanamide
CID 58200215
ethane;N-ethyl-2,2-dimethylpropanamide
CID 142466715
N-but-3-en-2-yl-2,2-dimethylpropanamide
CID 112698624
2,2-dimethyl-N-(2-methylpropanoyl)propanamide
CID 130010818
N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide
CID 87731814
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338

Frequently Asked Questions

What is the IUPAC name of N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane?
The IUPAC name of N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane (CID 177229966) is N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane.
What is the SMILES notation for N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane?
The canonical SMILES for N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane is C=C/C(=N\N(C)C)NC(=O)C(C)(C)C.CC.
What is the InChIKey of N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane?
The InChIKey is NSYDCMWWGRRTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O.C2H6/c1-7-8(12-13(5)6)11-9(14)10(2,3)4;1-2/h7H,1H2,2-6H3,(H,11,12,14);1-2H3.
What are the key properties of N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane?
N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane has a molecular weight of 227.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane is sourced from PubChem (CID 177229966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).