N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide

C10H18N2 — CID 123655703

IUPACN-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide
SMILESCC=C(C)/N=C(\C)N/C(C)=C\C
InChIInChI=1S/C10H18N2/c1-6-8(3)11-10(5)12-9(4)7-2/h6-7H,1-5H3,(H,11,12)/b8-6-,9-7?
InChIKeyOAQXAFOAJCEGJQ-VFUVOHNVSA-N
MW166.27 g/mol
LogP2.84
Rot. Bonds2

About N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide

N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide (PubChem CID 123655703) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide
PubChem CID123655703
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide
SMILESCC=C(C)/N=C(\C)N/C(C)=C\C
InChIInChI=1S/C10H18N2/c1-6-8(3)11-10(5)12-9(4)7-2/h6-7H,1-5H3,(H,11,12)/b8-6-,9-7?
InChIKeyOAQXAFOAJCEGJQ-VFUVOHNVSA-N
XLogP2.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.84
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

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CID 22086201
2,6-Dimethyl-1,4-dihydropyrimidine
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2,4-dimethyl-6-methylidene-1H-pyrimidine
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N'-[(Z)-but-2-en-2-yl]ethanimidamide
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(Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide
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N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide
CID 91073028
N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide
CID 91170890
N'-methyl-N-prop-1-en-2-ylethanimidamide
CID 91470690
N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide
CID 121279957
N,N'-bis(but-2-en-2-yl)ethanimidamide
CID 123267429
N-(N-but-2-en-2-yl-N'-methylcarbamimidoyl)-N'-ethylethanimidamide
CID 123321964
N,N'-bis(but-2-en-2-yl)propanimidamide
CID 123391975

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide (CID 123655703) is N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide is CC=C(C)/N=C(\C)N/C(C)=C\C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide?
The InChIKey is OAQXAFOAJCEGJQ-VFUVOHNVSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-8(3)11-10(5)12-9(4)7-2/h6-7H,1-5H3,(H,11,12)/b8-6-,9-7?.
What are the key properties of N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide?
N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 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'-but-2-en-2-ylethanimidamide is sourced from PubChem (CID 123655703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).