4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;4,4-dimethylpent-1-ene;ethane;N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide

C28H50N4OS — CID 143159819

IUPAC4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;4,4-dimethylpent-1-ene;ethane;N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide
SMILESC=CCC(C)(C)C.CC.CC.CN(C)c1ccnc2sc(C=O)cc12.[H]/N=C/N(C)/C(C)=C/CC
InChIInChI=1S/C10H10N2OS.C7H14N2.C7H14.2C2H6/c1-12(2)9-3-4-11-10-8(9)5-7(6-13)14-10;1-4-5-7(2)9(3)6-8;1-5-6-7(2,3)4;2*1-2/h3-6H,1-2H3;5-6,8H,4H2,1-3H3;5H,1,6H2,2-4H3;2*1-2H3/b;7-5+,8-6+;;;
InChIKeyJVUPUUIOHHGFTK-MUTQJIDRSA-N
MW490.80 g/mol
LogP8.67
Rot. Bonds6

About 4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;4,4-dimethylpent-1-ene;ethane;N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide

4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;4,4-dimethylpent-1-ene;ethane;N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide (PubChem CID 143159819) has the molecular formula C28H50N4OS and a molecular weight of 490.80 g/mol. Its IUPAC name is 4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;4,4-dimethylpent-1-ene;ethane;N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide.

Molecular Properties

Compound Name4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;4,4-dimethylpent-1-ene;ethane;N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide
PubChem CID143159819
Molecular FormulaC28H50N4OS
Molecular Weight490.80 g/mol
Exact Mass490.37
IUPAC Name4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;4,4-dimethylpent-1-ene;ethane;N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide
SMILESC=CCC(C)(C)C.CC.CC.CN(C)c1ccnc2sc(C=O)cc12.[H]/N=C/N(C)/C(C)=C/CC
InChIInChI=1S/C10H10N2OS.C7H14N2.C7H14.2C2H6/c1-12(2)9-3-4-11-10-8(9)5-7(6-13)14-10;1-4-5-7(2)9(3)6-8;1-5-6-7(2,3)4;2*1-2/h3-6H,1-2H3;5-6,8H,4H2,1-3H3;5H,1,6H2,2-4H3;2*1-2H3/b;7-5+,8-6+;;;
InChIKeyJVUPUUIOHHGFTK-MUTQJIDRSA-N
XLogP8.67
TPSA60.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.80
LogP ≤ 58.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;methanamine;methoxymethane
CID 143159716
ethane;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]propanimidamide;4-[methyl(propyl)amino]thieno[2,3-b]pyridine-2-carbaldehyde
CID 143159758
4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde
CID 125453614
N-[(E)-but-2-en-2-yl]-4-[2-(dimethylamino)ethylamino]-N-methanimidoylthieno[2,3-b]pyridine-2-carboxamide
CID 143160569
4-(dimethylamino)thieno[2,3-b]pyridine-2,5-dicarbaldehyde
CID 143431607
but-1-ene;4-(dimethylamino)-6-ethyl-N-methanimidoyl-N-[(2E)-penta-2,4-dien-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 143487681
4-(dimethylamino)-N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 143159947
ethane;N'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]-N-[2-[4-[methyl(prop-2-enyl)amino]thieno[2,3-b]pyridin-2-yl]-2-oxoethyl]methanimidamide
CID 143160020
4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde
CID 143159940
N-[2-formyl-4-[methyl(prop-2-enyl)amino]thieno[2,3-b]pyridin-3-yl]-N'-[(2Z,4Z)-4-methylhepta-2,4-dienyl]methanimidamide
CID 143160008
N'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]methanimidamide;ethane;dihydrochloride
CID 143159738
N'-[4-(ethylamino)-6-formylthieno[2,3-d]pyrimidin-5-yl]-N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide
CID 143487867

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;4,4-dimethylpent-1-ene;ethane;N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide?
The IUPAC name of 4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;4,4-dimethylpent-1-ene;ethane;N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide (CID 143159819) is 4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;4,4-dimethylpent-1-ene;ethane;N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide.
What is the SMILES notation for 4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;4,4-dimethylpent-1-ene;ethane;N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide?
The canonical SMILES for 4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;4,4-dimethylpent-1-ene;ethane;N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide is C=CCC(C)(C)C.CC.CC.CN(C)c1ccnc2sc(C=O)cc12.[H]/N=C/N(C)/C(C)=C/CC.
What is the InChIKey of 4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;4,4-dimethylpent-1-ene;ethane;N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide?
The InChIKey is JVUPUUIOHHGFTK-MUTQJIDRSA-N. The full InChI is InChI=1S/C10H10N2OS.C7H14N2.C7H14.2C2H6/c1-12(2)9-3-4-11-10-8(9)5-7(6-13)14-10;1-4-5-7(2)9(3)6-8;1-5-6-7(2,3)4;2*1-2/h3-6H,1-2H3;5-6,8H,4H2,1-3H3;5H,1,6H2,2-4H3;2*1-2H3/b;7-5+,8-6+;;;.
What are the key properties of 4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;4,4-dimethylpent-1-ene;ethane;N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide?
4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;4,4-dimethylpent-1-ene;ethane;N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide has a molecular weight of 490.80 g/mol, XLogP of 8.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;4,4-dimethylpent-1-ene;ethane;N-methyl-N-[(E)-pent-2-en-2-yl]methanimidamide is sourced from PubChem (CID 143159819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).