N'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide

C16H26N2 — CID 134591853

IUPACN'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide
SMILESC/C=C\C=C/CC(C)/C=C(/C=C/C)N/C(C)=N/C
InChIInChI=1S/C16H26N2/c1-6-8-9-10-12-14(3)13-16(11-7-2)18-15(4)17-5/h6-11,13-14H,12H2,1-5H3,(H,17,18)/b8-6-,10-9-,11-7+,16-13-
InChIKeyVZDOMCXYIARCDI-ZCFOFJNSSA-N
MW246.40 g/mol
LogP4.24
Rot. Bonds6

About N'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide

N'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide (PubChem CID 134591853) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide
PubChem CID134591853
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide
SMILESC/C=C\C=C/CC(C)/C=C(/C=C/C)N/C(C)=N/C
InChIInChI=1S/C16H26N2/c1-6-8-9-10-12-14(3)13-16(11-7-2)18-15(4)17-5/h6-11,13-14H,12H2,1-5H3,(H,17,18)/b8-6-,10-9-,11-7+,16-13-
InChIKeyVZDOMCXYIARCDI-ZCFOFJNSSA-N
XLogP4.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.24
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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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide?
The IUPAC name of N'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide (CID 134591853) is N'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide?
The canonical SMILES for N'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide is C/C=C\C=C/CC(C)/C=C(/C=C/C)N/C(C)=N/C.
What is the InChIKey of N'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide?
The InChIKey is VZDOMCXYIARCDI-ZCFOFJNSSA-N. The full InChI is InChI=1S/C16H26N2/c1-6-8-9-10-12-14(3)13-16(11-7-2)18-15(4)17-5/h6-11,13-14H,12H2,1-5H3,(H,17,18)/b8-6-,10-9-,11-7+,16-13-.
What are the key properties of N'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide?
N'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide has a molecular weight of 246.40 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide is sourced from PubChem (CID 134591853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).