N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide

C13H22N2 — CID 177040880

IUPACN'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide
SMILESC/C=C(C)\N=C(CC)\N=C(C)\C(C)=C/C
InChIInChI=1S/C13H22N2/c1-7-10(4)12(6)15-13(9-3)14-11(5)8-2/h7-8H,9H2,1-6H3/b10-7-,11-8-,14-13+,15-12+
InChIKeyWRAQJTKCJXVMBF-RDGIHPSHSA-N
MW206.33 g/mol
LogP4.15
Rot. Bonds3

About N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide

N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide (PubChem CID 177040880) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide.

Molecular Properties

Compound NameN'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide
PubChem CID177040880
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide
SMILESC/C=C(C)\N=C(CC)\N=C(C)\C(C)=C/C
InChIInChI=1S/C13H22N2/c1-7-10(4)12(6)15-13(9-3)14-11(5)8-2/h7-8H,9H2,1-6H3/b10-7-,11-8-,14-13+,15-12+
InChIKeyWRAQJTKCJXVMBF-RDGIHPSHSA-N
XLogP4.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
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)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide?
The IUPAC name of N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide (CID 177040880) is N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide.
What is the SMILES notation for N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide?
The canonical SMILES for N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide is C/C=C(C)\N=C(CC)\N=C(C)\C(C)=C/C.
What is the InChIKey of N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide?
The InChIKey is WRAQJTKCJXVMBF-RDGIHPSHSA-N. The full InChI is InChI=1S/C13H22N2/c1-7-10(4)12(6)15-13(9-3)14-11(5)8-2/h7-8H,9H2,1-6H3/b10-7-,11-8-,14-13+,15-12+.
What are the key properties of N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide?
N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide has a molecular weight of 206.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide is sourced from PubChem (CID 177040880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).