N'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide

C13H24N2 — CID 156544655

IUPACN'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide
SMILESC=C(CCC/C(C)=C/CC)N/C(C)=N/C
InChIInChI=1S/C13H24N2/c1-6-8-11(2)9-7-10-12(3)15-13(4)14-5/h8H,3,6-7,9-10H2,1-2,4-5H3,(H,14,15)/b11-8+
InChIKeyOCDRNVXGFQOTKP-DHZHZOJOSA-N
MW208.35 g/mol
LogP3.66
Rot. Bonds6

About N'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide

N'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide (PubChem CID 156544655) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide
PubChem CID156544655
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide
SMILESC=C(CCC/C(C)=C/CC)N/C(C)=N/C
InChIInChI=1S/C13H24N2/c1-6-8-11(2)9-7-10-12(3)15-13(4)14-5/h8H,3,6-7,9-10H2,1-2,4-5H3,(H,14,15)/b11-8+
InChIKeyOCDRNVXGFQOTKP-DHZHZOJOSA-N
XLogP3.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.66
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide?
The IUPAC name of N'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide (CID 156544655) is N'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide is C=C(CCC/C(C)=C/CC)N/C(C)=N/C.
What is the InChIKey of N'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide?
The InChIKey is OCDRNVXGFQOTKP-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-8-11(2)9-7-10-12(3)15-13(4)14-5/h8H,3,6-7,9-10H2,1-2,4-5H3,(H,14,15)/b11-8+.
What are the key properties of N'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide?
N'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide has a molecular weight of 208.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide is sourced from PubChem (CID 156544655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).