acetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea

C17H45N4O3+ — CID 161136995

IUPACacetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea
SMILESC.C.C.C.C=[N+](C)C(C)=O.CC(=O)N(C)C.CN(C)C(=O)N(C)C
InChIInChI=1S/C5H12N2O.C4H9NO.C4H8NO.4CH4/c1-6(2)5(8)7(3)4;2*1-4(6)5(2)3;;;;/h1-4H3;1-3H3;2H2,1,3H3;4*1H4/q;;+1;;;;
InChIKeyBOBXSPIHSPFFGP-UHFFFAOYSA-N
MW353.57 g/mol
LogP2.74
Rot. Bonds

About acetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea

acetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea (PubChem CID 161136995) has the molecular formula C17H45N4O3+ and a molecular weight of 353.57 g/mol. Its IUPAC name is acetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea.

Molecular Properties

Compound Nameacetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea
PubChem CID161136995
Molecular FormulaC17H45N4O3+
Molecular Weight353.57 g/mol
Exact Mass353.35
IUPAC Nameacetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea
SMILESC.C.C.C.C=[N+](C)C(C)=O.CC(=O)N(C)C.CN(C)C(=O)N(C)C
InChIInChI=1S/C5H12N2O.C4H9NO.C4H8NO.4CH4/c1-6(2)5(8)7(3)4;2*1-4(6)5(2)3;;;;/h1-4H3;1-3H3;2H2,1,3H3;4*1H4/q;;+1;;;;
InChIKeyBOBXSPIHSPFFGP-UHFFFAOYSA-N
XLogP2.74
TPSA63.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.57
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea
CID 157392162
N,N-dimethylacetamide;formaldehyde
CID 54040691
azane;N,N-dimethylacetamide
CID 161145572
carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium)
CID 160573879
N,N-dimethylacetamide;molecular iodine
CID 158534416
lithium;N,N-dimethylacetamide;chloride
CID 87129072
1,1,3,3-tetramethylurea;urea
CID 158796669
N-acetyl-N-methylacetamide;ethane;methane
CID 158491582
bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide
CID 173055527
N,N-dimethylacetamide;permanganic acid
CID 174571384
calcium;N,N-dimethylacetamide;diacetate
CID 175064438
N,N-dimethylacetamide;ethane-1,2-diol
CID 19046924

Frequently Asked Questions

What is the IUPAC name of acetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea?
The IUPAC name of acetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea (CID 161136995) is acetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea.
What is the SMILES notation for acetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea?
The canonical SMILES for acetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea is C.C.C.C.C=[N+](C)C(C)=O.CC(=O)N(C)C.CN(C)C(=O)N(C)C.
What is the InChIKey of acetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea?
The InChIKey is BOBXSPIHSPFFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C4H9NO.C4H8NO.4CH4/c1-6(2)5(8)7(3)4;2*1-4(6)5(2)3;;;;/h1-4H3;1-3H3;2H2,1,3H3;4*1H4/q;;+1;;;;.
What are the key properties of acetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea?
acetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea has a molecular weight of 353.57 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea is sourced from PubChem (CID 161136995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).