[[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-ylidene]amino] N-methylcarbamate

C10H19N3O3 — CID 71394467

IUPAC[[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-ylidene]amino] N-methylcarbamate
SMILESCNC(=O)ON=C(C(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C10H19N3O3/c1-10(2,3)7(8(14)13(5)6)12-16-9(15)11-4/h1-6H3,(H,11,15)
InChIKeyCCAUEQKNWFMEFN-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.83
Rot. Bonds2

About [[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-ylidene]amino] N-methylcarbamate

[[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-ylidene]amino] N-methylcarbamate (PubChem CID 71394467) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is [[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-ylidene]amino] N-methylcarbamate.

Molecular Properties

Compound Name[[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-ylidene]amino] N-methylcarbamate
PubChem CID71394467
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name[[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-ylidene]amino] N-methylcarbamate
SMILESCNC(=O)ON=C(C(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C10H19N3O3/c1-10(2,3)7(8(14)13(5)6)12-16-9(15)11-4/h1-6H3,(H,11,15)
InChIKeyCCAUEQKNWFMEFN-UHFFFAOYSA-N
XLogP0.83
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-ylidene]amino] N-methylcarbamate?
The IUPAC name of [[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-ylidene]amino] N-methylcarbamate (CID 71394467) is [[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-ylidene]amino] N-methylcarbamate.
What is the SMILES notation for [[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-ylidene]amino] N-methylcarbamate?
The canonical SMILES for [[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-ylidene]amino] N-methylcarbamate is CNC(=O)ON=C(C(=O)N(C)C)C(C)(C)C.
What is the InChIKey of [[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-ylidene]amino] N-methylcarbamate?
The InChIKey is CCAUEQKNWFMEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(2,3)7(8(14)13(5)6)12-16-9(15)11-4/h1-6H3,(H,11,15).
What are the key properties of [[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-ylidene]amino] N-methylcarbamate?
[[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-ylidene]amino] N-methylcarbamate has a molecular weight of 229.28 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-ylidene]amino] N-methylcarbamate is sourced from PubChem (CID 71394467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).