N-ethenyl-N'-[(1Z,3E)-2-hexan-3-yl-3-methylhexa-1,3,5-trienyl]ethanimidamide

C17H28N2 — CID 134511701

IUPACN-ethenyl-N'-[(1Z,3E)-2-hexan-3-yl-3-methylhexa-1,3,5-trienyl]ethanimidamide
SMILESC=C/C=C(C)/C(=C\N=C(/C)NC=C)C(CC)CCC
InChIInChI=1S/C17H28N2/c1-7-11-14(5)17(16(9-3)12-8-2)13-19-15(6)18-10-4/h7,10-11,13,16H,1,4,8-9,12H2,2-3,5-6H3,(H,18,19)/b14-11+,17-13+
InChIKeyMAGXMFFQINUYMM-XGBVDROGSA-N
MW260.43 g/mol
LogP4.98
Rot. Bonds8

About N-ethenyl-N'-[(1Z,3E)-2-hexan-3-yl-3-methylhexa-1,3,5-trienyl]ethanimidamide

N-ethenyl-N'-[(1Z,3E)-2-hexan-3-yl-3-methylhexa-1,3,5-trienyl]ethanimidamide (PubChem CID 134511701) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-ethenyl-N'-[(1Z,3E)-2-hexan-3-yl-3-methylhexa-1,3,5-trienyl]ethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-[(1Z,3E)-2-hexan-3-yl-3-methylhexa-1,3,5-trienyl]ethanimidamide
PubChem CID134511701
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-ethenyl-N'-[(1Z,3E)-2-hexan-3-yl-3-methylhexa-1,3,5-trienyl]ethanimidamide
SMILESC=C/C=C(C)/C(=C\N=C(/C)NC=C)C(CC)CCC
InChIInChI=1S/C17H28N2/c1-7-11-14(5)17(16(9-3)12-8-2)13-19-15(6)18-10-4/h7,10-11,13,16H,1,4,8-9,12H2,2-3,5-6H3,(H,18,19)/b14-11+,17-13+
InChIKeyMAGXMFFQINUYMM-XGBVDROGSA-N
XLogP4.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.98
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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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-[(1Z,3E)-2-hexan-3-yl-3-methylhexa-1,3,5-trienyl]ethanimidamide?
The IUPAC name of N-ethenyl-N'-[(1Z,3E)-2-hexan-3-yl-3-methylhexa-1,3,5-trienyl]ethanimidamide (CID 134511701) is N-ethenyl-N'-[(1Z,3E)-2-hexan-3-yl-3-methylhexa-1,3,5-trienyl]ethanimidamide.
What is the SMILES notation for N-ethenyl-N'-[(1Z,3E)-2-hexan-3-yl-3-methylhexa-1,3,5-trienyl]ethanimidamide?
The canonical SMILES for N-ethenyl-N'-[(1Z,3E)-2-hexan-3-yl-3-methylhexa-1,3,5-trienyl]ethanimidamide is C=C/C=C(C)/C(=C\N=C(/C)NC=C)C(CC)CCC.
What is the InChIKey of N-ethenyl-N'-[(1Z,3E)-2-hexan-3-yl-3-methylhexa-1,3,5-trienyl]ethanimidamide?
The InChIKey is MAGXMFFQINUYMM-XGBVDROGSA-N. The full InChI is InChI=1S/C17H28N2/c1-7-11-14(5)17(16(9-3)12-8-2)13-19-15(6)18-10-4/h7,10-11,13,16H,1,4,8-9,12H2,2-3,5-6H3,(H,18,19)/b14-11+,17-13+.
What are the key properties of N-ethenyl-N'-[(1Z,3E)-2-hexan-3-yl-3-methylhexa-1,3,5-trienyl]ethanimidamide?
N-ethenyl-N'-[(1Z,3E)-2-hexan-3-yl-3-methylhexa-1,3,5-trienyl]ethanimidamide has a molecular weight of 260.43 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-[(1Z,3E)-2-hexan-3-yl-3-methylhexa-1,3,5-trienyl]ethanimidamide is sourced from PubChem (CID 134511701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).