N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide

C8H14N2 — CID 90809121

IUPACN'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)N/C=N/C(C)=C/C
InChIInChI=1S/C8H14N2/c1-5-8(4)10-6-9-7(2)3/h5-6H,2H2,1,3-4H3,(H,9,10)/b8-5+
InChIKeyZSUNCOYLSVSBHM-VMPITWQZSA-N
MW138.21 g/mol
LogP2.06
Rot. Bonds3

About N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide

N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide (PubChem CID 90809121) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide
PubChem CID90809121
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)N/C=N/C(C)=C/C
InChIInChI=1S/C8H14N2/c1-5-8(4)10-6-9-7(2)3/h5-6H,2H2,1,3-4H3,(H,9,10)/b8-5+
InChIKeyZSUNCOYLSVSBHM-VMPITWQZSA-N
XLogP2.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.06
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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Related Compounds

6-Methyl-1,4-dihydropyrimidine
CID 19748724
N-but-2-en-2-yl-N'-methylmethanimidamide
CID 59874817
6-ethylidene-N-methyl-1H-pyrimidin-4-amine
CID 89513878
N,6-dimethyl-1,4-dihydropyrimidin-4-amine
CID 90452821
N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide
CID 90453085
6-Methyl-1,4-dihydropyrimidin-4-amine
CID 90454007
N-[(E)-but-2-en-2-yl]-N'-methylmethanimidamide
CID 90807212
N'-methyl-N-prop-1-en-2-ylmethanimidamide
CID 90883125
N'-ethyl-N-prop-1-en-2-ylmethanimidamide
CID 91052461
N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide
CID 91073964
N-[(Z)-1-aminoprop-1-en-2-yl]-N'-methylmethanimidamide
CID 118689711
N-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide
CID 118900942

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide?
The IUPAC name of N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide (CID 90809121) is N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide.
What is the SMILES notation for N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide?
The canonical SMILES for N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide is C=C(C)N/C=N/C(C)=C/C.
What is the InChIKey of N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide?
The InChIKey is ZSUNCOYLSVSBHM-VMPITWQZSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-8(4)10-6-9-7(2)3/h5-6H,2H2,1,3-4H3,(H,9,10)/b8-5+.
What are the key properties of N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide?
N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide is sourced from PubChem (CID 90809121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).