ethane;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]propanimidamide;4-[methyl(propyl)amino]thieno[2,3-b]pyridine-2-carbaldehyde

C24H38N4OS — CID 143159758

IUPACethane;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]propanimidamide;4-[methyl(propyl)amino]thieno[2,3-b]pyridine-2-carbaldehyde
SMILESC/C=C(\C=C/CC)/N=C(/N)CC.CC.CCCN(C)c1ccnc2sc(C=O)cc12
InChIInChI=1S/C12H14N2OS.C10H18N2.C2H6/c1-3-6-14(2)11-4-5-13-12-10(11)7-9(8-15)16-12;1-4-7-8-9(5-2)12-10(11)6-3;1-2/h4-5,7-8H,3,6H2,1-2H3;5,7-8H,4,6H2,1-3H3,(H2,11,12);1-2H3/b;8-7-,9-5+;
InChIKeyDHVPRUMAOPQMMG-IGZJSVATSA-N
MW430.66 g/mol
LogP6.60
Rot. Bonds8

About ethane;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]propanimidamide;4-[methyl(propyl)amino]thieno[2,3-b]pyridine-2-carbaldehyde

ethane;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]propanimidamide;4-[methyl(propyl)amino]thieno[2,3-b]pyridine-2-carbaldehyde (PubChem CID 143159758) has the molecular formula C24H38N4OS and a molecular weight of 430.66 g/mol. Its IUPAC name is ethane;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]propanimidamide;4-[methyl(propyl)amino]thieno[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Nameethane;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]propanimidamide;4-[methyl(propyl)amino]thieno[2,3-b]pyridine-2-carbaldehyde
PubChem CID143159758
Molecular FormulaC24H38N4OS
Molecular Weight430.66 g/mol
Exact Mass430.28
IUPAC Nameethane;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]propanimidamide;4-[methyl(propyl)amino]thieno[2,3-b]pyridine-2-carbaldehyde
SMILESC/C=C(\C=C/CC)/N=C(/N)CC.CC.CCCN(C)c1ccnc2sc(C=O)cc12
InChIInChI=1S/C12H14N2OS.C10H18N2.C2H6/c1-3-6-14(2)11-4-5-13-12-10(11)7-9(8-15)16-12;1-4-7-8-9(5-2)12-10(11)6-3;1-2/h4-5,7-8H,3,6H2,1-2H3;5,7-8H,4,6H2,1-3H3,(H2,11,12);1-2H3/b;8-7-,9-5+;
InChIKeyDHVPRUMAOPQMMG-IGZJSVATSA-N
XLogP6.60
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.66
LogP ≤ 56.60
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)thieno[2,3-b]pyridine-2-carbaldehyde;methanamine;methoxymethane
CID 143159716
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
4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde
CID 125453614
4-[[methyl(propyl)amino]methyl]pyridine-2-carbothioamide
CID 63883438
4-(dimethylamino)thieno[2,3-b]pyridine-2,5-dicarbaldehyde
CID 143431607
4-(cyclobutylamino)thieno[2,3-b]pyridine-2-carbaldehyde
CID 143159940
5-bromo-2-[methyl(propyl)amino]benzenecarbothioamide
CID 114891329
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
5-amino-2-[methyl(propyl)amino]pyridine-3-carboxamide
CID 61358399
3-methyl-4-[methyl(propyl)amino]benzenecarbothioamide
CID 60930072
2-[methyl(propyl)amino]pyridine-4-carboximidamide
CID 43271318
2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62756528

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]propanimidamide;4-[methyl(propyl)amino]thieno[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of ethane;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]propanimidamide;4-[methyl(propyl)amino]thieno[2,3-b]pyridine-2-carbaldehyde (CID 143159758) is ethane;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]propanimidamide;4-[methyl(propyl)amino]thieno[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for ethane;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]propanimidamide;4-[methyl(propyl)amino]thieno[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for ethane;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]propanimidamide;4-[methyl(propyl)amino]thieno[2,3-b]pyridine-2-carbaldehyde is C/C=C(\C=C/CC)/N=C(/N)CC.CC.CCCN(C)c1ccnc2sc(C=O)cc12.
What is the InChIKey of ethane;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]propanimidamide;4-[methyl(propyl)amino]thieno[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is DHVPRUMAOPQMMG-IGZJSVATSA-N. The full InChI is InChI=1S/C12H14N2OS.C10H18N2.C2H6/c1-3-6-14(2)11-4-5-13-12-10(11)7-9(8-15)16-12;1-4-7-8-9(5-2)12-10(11)6-3;1-2/h4-5,7-8H,3,6H2,1-2H3;5,7-8H,4,6H2,1-3H3,(H2,11,12);1-2H3/b;8-7-,9-5+;.
What are the key properties of ethane;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]propanimidamide;4-[methyl(propyl)amino]thieno[2,3-b]pyridine-2-carbaldehyde?
ethane;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]propanimidamide;4-[methyl(propyl)amino]thieno[2,3-b]pyridine-2-carbaldehyde has a molecular weight of 430.66 g/mol, XLogP of 6.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]propanimidamide;4-[methyl(propyl)amino]thieno[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 143159758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).