formaldehyde;3-methyl-4-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]thiophen-2-amine

C15H19NOS — CID 143790618

IUPACformaldehyde;3-methyl-4-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]thiophen-2-amine
SMILESC=C/C=C(\C=C/C=C\C)c1csc(N)c1C.C=O
InChIInChI=1S/C14H17NS.CH2O/c1-4-6-7-9-12(8-5-2)13-10-16-14(15)11(13)3;1-2/h4-10H,2,15H2,1,3H3;1H2/b6-4-,9-7-,12-8+;
InChIKeyTVEDYUFPXXFDKG-SKQJUMRXSA-N
MW261.39 g/mol
LogP4.16
Rot. Bonds4

About formaldehyde;3-methyl-4-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]thiophen-2-amine

formaldehyde;3-methyl-4-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]thiophen-2-amine (PubChem CID 143790618) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is formaldehyde;3-methyl-4-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]thiophen-2-amine.

Molecular Properties

Compound Nameformaldehyde;3-methyl-4-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]thiophen-2-amine
PubChem CID143790618
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Nameformaldehyde;3-methyl-4-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]thiophen-2-amine
SMILESC=C/C=C(\C=C/C=C\C)c1csc(N)c1C.C=O
InChIInChI=1S/C14H17NS.CH2O/c1-4-6-7-9-12(8-5-2)13-10-16-14(15)11(13)3;1-2/h4-10H,2,15H2,1,3H3;1H2/b6-4-,9-7-,12-8+;
InChIKeyTVEDYUFPXXFDKG-SKQJUMRXSA-N
XLogP4.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze formaldehyde;3-methyl-4-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]thiophen-2-amine with MolForge

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Related Compounds

5-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]-1,2-dihydropyrazol-3-one
CID 145300171
5-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]-1,2-oxazole-3-carboxylic acid
CID 145057660
(3E,5Z,7Z)-4-ethenylnona-1,3,5,7-tetraene
CID 155698578
ethane;[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;toluene
CID 142469927
(2E)-1-(2-amino-4-phenylthiophen-3-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-one
CID 143790626
buta-1,3-diene;hexa-2,4-dienoic acid
CID 88763418
(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene
CID 145151868
(3E,5E,7E)-4-ethylnona-1,3,5,7-tetraene
CID 143912648
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
(2E,4E)-hexa-2,4-dienamide;phosphane
CID 175915492
(2E,4E)-hexa-2,4-dienoic acid;(3E)-penta-1,3-diene
CID 158184372
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methyl-1,3-thiazole
CID 143468750

Frequently Asked Questions

What is the IUPAC name of formaldehyde;3-methyl-4-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]thiophen-2-amine?
The IUPAC name of formaldehyde;3-methyl-4-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]thiophen-2-amine (CID 143790618) is formaldehyde;3-methyl-4-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]thiophen-2-amine.
What is the SMILES notation for formaldehyde;3-methyl-4-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]thiophen-2-amine?
The canonical SMILES for formaldehyde;3-methyl-4-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]thiophen-2-amine is C=C/C=C(\C=C/C=C\C)c1csc(N)c1C.C=O.
What is the InChIKey of formaldehyde;3-methyl-4-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]thiophen-2-amine?
The InChIKey is TVEDYUFPXXFDKG-SKQJUMRXSA-N. The full InChI is InChI=1S/C14H17NS.CH2O/c1-4-6-7-9-12(8-5-2)13-10-16-14(15)11(13)3;1-2/h4-10H,2,15H2,1,3H3;1H2/b6-4-,9-7-,12-8+;.
What are the key properties of formaldehyde;3-methyl-4-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]thiophen-2-amine?
formaldehyde;3-methyl-4-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]thiophen-2-amine has a molecular weight of 261.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;3-methyl-4-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]thiophen-2-amine is sourced from PubChem (CID 143790618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).