N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide

C11H22N2 — CID 126735392

IUPACN'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide
SMILESCCC/C=C(C)\N=C(/N)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-6-7-8-9(2)13-10(12)11(3,4)5/h8H,6-7H2,1-5H3,(H2,12,13)/b9-8-
InChIKeyLCPOSNIDARQMMG-HJWRWDBZSA-N
MW182.31 g/mol
LogP3.09
Rot. Bonds3

About N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide

N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide (PubChem CID 126735392) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide
PubChem CID126735392
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide
SMILESCCC/C=C(C)\N=C(/N)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-6-7-8-9(2)13-10(12)11(3,4)5/h8H,6-7H2,1-5H3,(H2,12,13)/b9-8-
InChIKeyLCPOSNIDARQMMG-HJWRWDBZSA-N
XLogP3.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.09
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide?
The IUPAC name of N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide (CID 126735392) is N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide is CCC/C=C(C)\N=C(/N)C(C)(C)C.
What is the InChIKey of N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide?
The InChIKey is LCPOSNIDARQMMG-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-7-8-9(2)13-10(12)11(3,4)5/h8H,6-7H2,1-5H3,(H2,12,13)/b9-8-.
What are the key properties of N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide?
N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide has a molecular weight of 182.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide is sourced from PubChem (CID 126735392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).