N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one)

C36H95N3O6 — CID 159346586

IUPACN,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one)
SMILESC.C.C.CC.CC.CC.CC.CC(=O)N(C)C.CC(C)=O.CC(C)=O.CCC.CCC.CN(C)C.CNC(C)=O.COC(C)=O
InChIInChI=1S/C4H9NO.C3H7NO.C3H9N.C3H6O2.2C3H6O.2C3H8.4C2H6.3CH4/c1-4(6)5(2)3;1-3(5)4-2;1-4(2)3;1-3(4)5-2;2*1-3(2)4;2*1-3-2;4*1-2;;;/h1-3H3;1-2H3,(H,4,5);1-3H3;1-2H3;2*1-2H3;2*3H2,1-2H3;4*1-2H3;3*1H4
InChIKeyLGUMRKGQGFFPCB-UHFFFAOYSA-N
MW666.17 g/mol
LogP10.24
Rot. Bonds

About N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one)

N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one) (PubChem CID 159346586) has the molecular formula C36H95N3O6 and a molecular weight of 666.17 g/mol. Its IUPAC name is N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one).

Molecular Properties

Compound NameN,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one)
PubChem CID159346586
Molecular FormulaC36H95N3O6
Molecular Weight666.17 g/mol
Exact Mass665.72
IUPAC NameN,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one)
SMILESC.C.C.CC.CC.CC.CC.CC(=O)N(C)C.CC(C)=O.CC(C)=O.CCC.CCC.CN(C)C.CNC(C)=O.COC(C)=O
InChIInChI=1S/C4H9NO.C3H7NO.C3H9N.C3H6O2.2C3H6O.2C3H8.4C2H6.3CH4/c1-4(6)5(2)3;1-3(5)4-2;1-4(2)3;1-3(4)5-2;2*1-3(2)4;2*1-3-2;4*1-2;;;/h1-3H3;1-2H3,(H,4,5);1-3H3;1-2H3;2*1-2H3;2*3H2,1-2H3;4*1-2H3;3*1H4
InChIKeyLGUMRKGQGFFPCB-UHFFFAOYSA-N
XLogP10.24
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.17
LogP ≤ 510.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

bis(N,N-dimethylacetamide);methyl acetate;propan-2-one
CID 161062659
ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide
CID 158401112
bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea
CID 157392162
N,N-dimethylacetamide;N,N-dimethylpropanamide;N-methylacetamide
CID 165098180
ethane;N-ethylacetamide;methane;methoxymethane;bis(N-methylacetamide);methyl acetate;N-methylformamide;tris(propan-2-one)
CID 160804840
ethane;methane;N-methylacetamide
CID 159401147
N,N-diethylethanamine;N-methylacetamide
CID 19745535
acetamide;acetic acid;N,N-dimethylacetamide;N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);methane;methanesulfonamide;N-methylacetamide;methyl acetate;N-methylmethanamine;tris(N-methylmethanesulfonamide);methylsulfonylmethane
CID 158597077
methane;methyl acetate
CID 162094565
methane;methyl acetate
CID 158871569
methane;N-methylacetamide
CID 169425645
bis(N-methylacetamide);propan-2-one
CID 158104043

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one)?
The IUPAC name of N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one) (CID 159346586) is N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one).
What is the SMILES notation for N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one)?
The canonical SMILES for N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one) is C.C.C.CC.CC.CC.CC.CC(=O)N(C)C.CC(C)=O.CC(C)=O.CCC.CCC.CN(C)C.CNC(C)=O.COC(C)=O.
What is the InChIKey of N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one)?
The InChIKey is LGUMRKGQGFFPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C3H7NO.C3H9N.C3H6O2.2C3H6O.2C3H8.4C2H6.3CH4/c1-4(6)5(2)3;1-3(5)4-2;1-4(2)3;1-3(4)5-2;2*1-3(2)4;2*1-3-2;4*1-2;;;/h1-3H3;1-2H3,(H,4,5);1-3H3;1-2H3;2*1-2H3;2*3H2,1-2H3;4*1-2H3;3*1H4.
What are the key properties of N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one)?
N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one) has a molecular weight of 666.17 g/mol, XLogP of 10.24, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one) is sourced from PubChem (CID 159346586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).