ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide

C18H31NO — CID 145294280

IUPACethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide
SMILESC=C/C=C(/NC=O)C(=C)/C(=C/C=C\C)CC.CC.CC
InChIInChI=1S/C14H19NO.2C2H6/c1-5-8-10-13(7-3)12(4)14(9-6-2)15-11-16;2*1-2/h5-6,8-11H,2,4,7H2,1,3H3,(H,15,16);2*1-2H3/b8-5-,13-10+,14-9+;;
InChIKeyYGSBTVYEUVFERZ-COBYMXNFSA-N
MW277.45 g/mol
LogP5.32
Rot. Bonds7

About ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide

ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide (PubChem CID 145294280) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide.

Molecular Properties

Compound Nameethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide
PubChem CID145294280
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Nameethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide
SMILESC=C/C=C(/NC=O)C(=C)/C(=C/C=C\C)CC.CC.CC
InChIInChI=1S/C14H19NO.2C2H6/c1-5-8-10-13(7-3)12(4)14(9-6-2)15-11-16;2*1-2/h5-6,8-11H,2,4,7H2,1,3H3,(H,15,16);2*1-2H3/b8-5-,13-10+,14-9+;;
InChIKeyYGSBTVYEUVFERZ-COBYMXNFSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide with MolForge

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Related Compounds

butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide
CID 142225178
(3Z,5E,6E,8Z)-6-ethyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 177369316
N-[(3E,5E)-5-(ethoxymethoxy)hepta-1,3,5-trien-4-yl]formamide
CID 143326179
ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine
CID 156719624
4-ethyl-3-fluoroocta-2,4,6-triene
CID 123568888
ethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane
CID 143388689
3-methylidenepent-1-ene;penta-1,3-diene
CID 158839725
(2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide
CID 139304214
1-[(3E,5Z)-5-ethylocta-1,3,5,7-tetraen-4-yl]-3-methylurea
CID 138569425
ethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol
CID 144690491
N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
CID 177208233
methyl (2Z,4E)-2-(2-methylidenebut-3-enyl)hexa-2,4-dienoate
CID 14531355

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide?
The IUPAC name of ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide (CID 145294280) is ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide.
What is the SMILES notation for ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide?
The canonical SMILES for ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide is C=C/C=C(/NC=O)C(=C)/C(=C/C=C\C)CC.CC.CC.
What is the InChIKey of ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide?
The InChIKey is YGSBTVYEUVFERZ-COBYMXNFSA-N. The full InChI is InChI=1S/C14H19NO.2C2H6/c1-5-8-10-13(7-3)12(4)14(9-6-2)15-11-16;2*1-2/h5-6,8-11H,2,4,7H2,1,3H3,(H,15,16);2*1-2H3/b8-5-,13-10+,14-9+;;.
What are the key properties of ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide?
ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide has a molecular weight of 277.45 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide is sourced from PubChem (CID 145294280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).