N,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione

C17H43N3O4 — CID 160824227

IUPACN,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione
SMILESC.CC(=O)CC(C)=O.CCN(CC)CC.CN.CNC(C)=O.CO
InChIInChI=1S/C6H15N.C5H8O2.C3H7NO.CH5N.CH4O.CH4/c1-4-7(5-2)6-3;1-4(6)3-5(2)7;1-3(5)4-2;2*1-2;/h4-6H2,1-3H3;3H2,1-2H3;1-2H3,(H,4,5);2H2,1H3;2H,1H3;1H4
InChIKeySFYIPGQBBYNVRH-UHFFFAOYSA-N
MW353.55 g/mol
LogP1.47
Rot. Bonds5

About N,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione

N,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione (PubChem CID 160824227) has the molecular formula C17H43N3O4 and a molecular weight of 353.55 g/mol. Its IUPAC name is N,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione.

Molecular Properties

Compound NameN,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione
PubChem CID160824227
Molecular FormulaC17H43N3O4
Molecular Weight353.55 g/mol
Exact Mass353.33
IUPAC NameN,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione
SMILESC.CC(=O)CC(C)=O.CCN(CC)CC.CN.CNC(C)=O.CO
InChIInChI=1S/C6H15N.C5H8O2.C3H7NO.CH5N.CH4O.CH4/c1-4-7(5-2)6-3;1-4(6)3-5(2)7;1-3(5)4-2;2*1-2;/h4-6H2,1-3H3;3H2,1-2H3;1-2H3,(H,4,5);2H2,1H3;2H,1H3;1H4
InChIKeySFYIPGQBBYNVRH-UHFFFAOYSA-N
XLogP1.47
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione
CID 158060943
N,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione
CID 158866386
N,N-diethylethanamine;methanamine;methanol;N-methylacetamide;pentane-2,4-dione
CID 160753119

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione?
The IUPAC name of N,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione (CID 160824227) is N,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione.
What is the SMILES notation for N,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione?
The canonical SMILES for N,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione is C.CC(=O)CC(C)=O.CCN(CC)CC.CN.CNC(C)=O.CO.
What is the InChIKey of N,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione?
The InChIKey is SFYIPGQBBYNVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C5H8O2.C3H7NO.CH5N.CH4O.CH4/c1-4-7(5-2)6-3;1-4(6)3-5(2)7;1-3(5)4-2;2*1-2;/h4-6H2,1-3H3;3H2,1-2H3;1-2H3,(H,4,5);2H2,1H3;2H,1H3;1H4.
What are the key properties of N,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione?
N,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione has a molecular weight of 353.55 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione is sourced from PubChem (CID 160824227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).