ethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide

C14H24N2 — CID 143256311

IUPACethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide
SMILESC=C/C(=C/C(=C)C)C(=CCC)N=CN.CC
InChIInChI=1S/C12H18N2.C2H6/c1-5-7-12(14-9-13)11(6-2)8-10(3)4;1-2/h6-9H,2-3,5H2,1,4H3,(H2,13,14);1-2H3/b11-8-,12-7+;
InChIKeyXSMVLURMCTXEJT-TZMARPLHSA-N
MW220.36 g/mol
LogP3.98
Rot. Bonds5

About ethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide

ethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide (PubChem CID 143256311) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide.

Molecular Properties

Compound Nameethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide
PubChem CID143256311
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide
SMILESC=C/C(=C/C(=C)C)C(=CCC)N=CN.CC
InChIInChI=1S/C12H18N2.C2H6/c1-5-7-12(14-9-13)11(6-2)8-10(3)4;1-2/h6-9H,2-3,5H2,1,4H3,(H2,13,14);1-2H3/b11-8-,12-7+;
InChIKeyXSMVLURMCTXEJT-TZMARPLHSA-N
XLogP3.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

1-(Diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium
CID 59107797
N'-[(2E,4Z)-3-ethenylhepta-2,4-dien-2-yl]methanimidamide
CID 88262945
N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide
CID 88885628
N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide
CID 88940713
N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide
CID 90684755
N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide
CID 118616847
2-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]guanidine
CID 118926536
2-(3-Methylidenecyclohexa-1,5-dien-1-yl)guanidine
CID 123179193
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 123434689
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
CID 123679921
N'-[(3E,5Z)-nona-3,5,7-trien-3-yl]methanimidamide
CID 123925467

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide?
The IUPAC name of ethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide (CID 143256311) is ethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide.
What is the SMILES notation for ethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide?
The canonical SMILES for ethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide is C=C/C(=C/C(=C)C)C(=CCC)N=CN.CC.
What is the InChIKey of ethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide?
The InChIKey is XSMVLURMCTXEJT-TZMARPLHSA-N. The full InChI is InChI=1S/C12H18N2.C2H6/c1-5-7-12(14-9-13)11(6-2)8-10(3)4;1-2/h6-9H,2-3,5H2,1,4H3,(H2,13,14);1-2H3/b11-8-,12-7+;.
What are the key properties of ethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide?
ethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide has a molecular weight of 220.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide is sourced from PubChem (CID 143256311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).