N,N-dimethylacetamide;N,N-dimethylmethanamine;1,2-dimethylpyrrole;2,3-dimethylthiophene;ethane;toluene

C34H67N3OS — CID 159332143

IUPACN,N-dimethylacetamide;N,N-dimethylmethanamine;1,2-dimethylpyrrole;2,3-dimethylthiophene;ethane;toluene
SMILESCC.CC.CC.CC.CC(=O)N(C)C.CN(C)C.Cc1ccccc1.Cc1cccn1C.Cc1ccsc1C
InChIInChI=1S/C7H8.C6H9N.C6H8S.C4H9NO.C3H9N.4C2H6/c1-7-5-3-2-4-6-7;1-6-4-3-5-7(6)2;1-5-3-4-7-6(5)2;1-4(6)5(2)3;1-4(2)3;4*1-2/h2-6H,1H3;3-5H,1-2H3;3-4H,1-2H3;1-3H3;1-3H3;4*1-2H3
InChIKeyLFCAQVKUWCWAGK-UHFFFAOYSA-N
MW566.00 g/mol
LogP10.07
Rot. Bonds

About N,N-dimethylacetamide;N,N-dimethylmethanamine;1,2-dimethylpyrrole;2,3-dimethylthiophene;ethane;toluene

N,N-dimethylacetamide;N,N-dimethylmethanamine;1,2-dimethylpyrrole;2,3-dimethylthiophene;ethane;toluene (PubChem CID 159332143) has the molecular formula C34H67N3OS and a molecular weight of 566.00 g/mol. Its IUPAC name is N,N-dimethylacetamide;N,N-dimethylmethanamine;1,2-dimethylpyrrole;2,3-dimethylthiophene;ethane;toluene.

Molecular Properties

Compound NameN,N-dimethylacetamide;N,N-dimethylmethanamine;1,2-dimethylpyrrole;2,3-dimethylthiophene;ethane;toluene
PubChem CID159332143
Molecular FormulaC34H67N3OS
Molecular Weight566.00 g/mol
Exact Mass565.50
IUPAC NameN,N-dimethylacetamide;N,N-dimethylmethanamine;1,2-dimethylpyrrole;2,3-dimethylthiophene;ethane;toluene
SMILESCC.CC.CC.CC.CC(=O)N(C)C.CN(C)C.Cc1ccccc1.Cc1cccn1C.Cc1ccsc1C
InChIInChI=1S/C7H8.C6H9N.C6H8S.C4H9NO.C3H9N.4C2H6/c1-7-5-3-2-4-6-7;1-6-4-3-5-7(6)2;1-5-3-4-7-6(5)2;1-4(6)5(2)3;1-4(2)3;4*1-2/h2-6H,1H3;3-5H,1-2H3;3-4H,1-2H3;1-3H3;1-3H3;4*1-2H3
InChIKeyLFCAQVKUWCWAGK-UHFFFAOYSA-N
XLogP10.07
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.00
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;N,N-dimethylmethanamine;1,2-dimethylpyrrole;2,3-dimethylthiophene;ethane;toluene?
The IUPAC name of N,N-dimethylacetamide;N,N-dimethylmethanamine;1,2-dimethylpyrrole;2,3-dimethylthiophene;ethane;toluene (CID 159332143) is N,N-dimethylacetamide;N,N-dimethylmethanamine;1,2-dimethylpyrrole;2,3-dimethylthiophene;ethane;toluene.
What is the SMILES notation for N,N-dimethylacetamide;N,N-dimethylmethanamine;1,2-dimethylpyrrole;2,3-dimethylthiophene;ethane;toluene?
The canonical SMILES for N,N-dimethylacetamide;N,N-dimethylmethanamine;1,2-dimethylpyrrole;2,3-dimethylthiophene;ethane;toluene is CC.CC.CC.CC.CC(=O)N(C)C.CN(C)C.Cc1ccccc1.Cc1cccn1C.Cc1ccsc1C.
What is the InChIKey of N,N-dimethylacetamide;N,N-dimethylmethanamine;1,2-dimethylpyrrole;2,3-dimethylthiophene;ethane;toluene?
The InChIKey is LFCAQVKUWCWAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H9N.C6H8S.C4H9NO.C3H9N.4C2H6/c1-7-5-3-2-4-6-7;1-6-4-3-5-7(6)2;1-5-3-4-7-6(5)2;1-4(6)5(2)3;1-4(2)3;4*1-2/h2-6H,1H3;3-5H,1-2H3;3-4H,1-2H3;1-3H3;1-3H3;4*1-2H3.
What are the key properties of N,N-dimethylacetamide;N,N-dimethylmethanamine;1,2-dimethylpyrrole;2,3-dimethylthiophene;ethane;toluene?
N,N-dimethylacetamide;N,N-dimethylmethanamine;1,2-dimethylpyrrole;2,3-dimethylthiophene;ethane;toluene has a molecular weight of 566.00 g/mol, XLogP of 10.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;N,N-dimethylmethanamine;1,2-dimethylpyrrole;2,3-dimethylthiophene;ethane;toluene is sourced from PubChem (CID 159332143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).