N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide

C11H20N2 — CID 90684755

IUPACN'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide
SMILESC/C=C(C=C(C)C(C)(C)C)/N=C/N
InChIInChI=1S/C11H20N2/c1-6-10(13-8-12)7-9(2)11(3,4)5/h6-8H,1-5H3,(H2,12,13)/b9-7?,10-6+
InChIKeyXRMYCJZNCGTKOG-CWIDIXFLSA-N
MW180.29 g/mol
LogP2.87
Rot. Bonds2

About N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide

N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide (PubChem CID 90684755) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide
PubChem CID90684755
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide
SMILESC/C=C(C=C(C)C(C)(C)C)/N=C/N
InChIInChI=1S/C11H20N2/c1-6-10(13-8-12)7-9(2)11(3,4)5/h6-8H,1-5H3,(H2,12,13)/b9-7?,10-6+
InChIKeyXRMYCJZNCGTKOG-CWIDIXFLSA-N
XLogP2.87
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.87
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'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide?
The IUPAC name of N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide (CID 90684755) is N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide.
What is the SMILES notation for N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide?
The canonical SMILES for N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide is C/C=C(C=C(C)C(C)(C)C)/N=C/N.
What is the InChIKey of N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide?
The InChIKey is XRMYCJZNCGTKOG-CWIDIXFLSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-10(13-8-12)7-9(2)11(3,4)5/h6-8H,1-5H3,(H2,12,13)/b9-7?,10-6+.
What are the key properties of N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide?
N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide has a molecular weight of 180.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide is sourced from PubChem (CID 90684755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).