N'-(6-methoxyocta-3,6-dien-3-yl)methanimidamide

C10H18N2O — CID 123353034

IUPACN'-(6-methoxyocta-3,6-dien-3-yl)methanimidamide
SMILESCC=C(CC=C(CC)/N=C/N)OC
InChIInChI=1S/C10H18N2O/c1-4-9(12-8-11)6-7-10(5-2)13-3/h5-6,8H,4,7H2,1-3H3,(H2,11,12)
InChIKeyXTYRGBJPUWIJDA-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.21
Rot. Bonds5

About N'-(6-methoxyocta-3,6-dien-3-yl)methanimidamide

N'-(6-methoxyocta-3,6-dien-3-yl)methanimidamide (PubChem CID 123353034) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N'-(6-methoxyocta-3,6-dien-3-yl)methanimidamide.

Molecular Properties

Compound NameN'-(6-methoxyocta-3,6-dien-3-yl)methanimidamide
PubChem CID123353034
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN'-(6-methoxyocta-3,6-dien-3-yl)methanimidamide
SMILESCC=C(CC=C(CC)/N=C/N)OC
InChIInChI=1S/C10H18N2O/c1-4-9(12-8-11)6-7-10(5-2)13-3/h5-6,8H,4,7H2,1-3H3,(H2,11,12)
InChIKeyXTYRGBJPUWIJDA-UHFFFAOYSA-N
XLogP2.21
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(6-methoxyocta-3,6-dien-3-yl)methanimidamide?
The IUPAC name of N'-(6-methoxyocta-3,6-dien-3-yl)methanimidamide (CID 123353034) is N'-(6-methoxyocta-3,6-dien-3-yl)methanimidamide.
What is the SMILES notation for N'-(6-methoxyocta-3,6-dien-3-yl)methanimidamide?
The canonical SMILES for N'-(6-methoxyocta-3,6-dien-3-yl)methanimidamide is CC=C(CC=C(CC)/N=C/N)OC.
What is the InChIKey of N'-(6-methoxyocta-3,6-dien-3-yl)methanimidamide?
The InChIKey is XTYRGBJPUWIJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-9(12-8-11)6-7-10(5-2)13-3/h5-6,8H,4,7H2,1-3H3,(H2,11,12).
What are the key properties of N'-(6-methoxyocta-3,6-dien-3-yl)methanimidamide?
N'-(6-methoxyocta-3,6-dien-3-yl)methanimidamide has a molecular weight of 182.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methoxyocta-3,6-dien-3-yl)methanimidamide is sourced from PubChem (CID 123353034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).