N'-[(E)-2-methylbut-1-enyl]-N-prop-1-en-2-ylethanimidamide

C10H18N2 — CID 144727000

IUPACN'-[(E)-2-methylbut-1-enyl]-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)N/C(C)=N/C=C(\C)CC
InChIInChI=1S/C10H18N2/c1-6-9(4)7-11-10(5)12-8(2)3/h7H,2,6H2,1,3-5H3,(H,11,12)/b9-7+
InChIKeyVYUYYAFANPFAGD-VQHVLOKHSA-N
MW166.27 g/mol
LogP2.84
Rot. Bonds3

About N'-[(E)-2-methylbut-1-enyl]-N-prop-1-en-2-ylethanimidamide

N'-[(E)-2-methylbut-1-enyl]-N-prop-1-en-2-ylethanimidamide (PubChem CID 144727000) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N'-[(E)-2-methylbut-1-enyl]-N-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-methylbut-1-enyl]-N-prop-1-en-2-ylethanimidamide
PubChem CID144727000
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN'-[(E)-2-methylbut-1-enyl]-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)N/C(C)=N/C=C(\C)CC
InChIInChI=1S/C10H18N2/c1-6-9(4)7-11-10(5)12-8(2)3/h7H,2,6H2,1,3-5H3,(H,11,12)/b9-7+
InChIKeyVYUYYAFANPFAGD-VQHVLOKHSA-N
XLogP2.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

N-but-1-en-2-yl-N'-methylethanimidamide
CID 89152931
N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide
CID 91266873
N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide
CID 123451617
N-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
CID 123668013
N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide
CID 126547303
N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide
CID 129173047
N'-methyl-N-[(Z)-2-methylbut-1-enyl]ethanimidamide
CID 134474947
2,5-dimethyl-6-methylidene-1H-pyrimidine
CID 141968414
N'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide
CID 144723066
N'-[(Z)-2-amino-3-methylbut-1-enyl]-2-methylpropanimidamide
CID 146175738
N'-ethenyl-N-prop-1-en-2-ylethanimidamide;molecular hydrogen
CID 156715445
N-[(4E)-5-(ethenylamino)-4-methylpenta-1,4-dien-2-yl]-N'-(2-methylprop-1-enyl)ethanimidamide
CID 141951366

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-methylbut-1-enyl]-N-prop-1-en-2-ylethanimidamide?
The IUPAC name of N'-[(E)-2-methylbut-1-enyl]-N-prop-1-en-2-ylethanimidamide (CID 144727000) is N'-[(E)-2-methylbut-1-enyl]-N-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for N'-[(E)-2-methylbut-1-enyl]-N-prop-1-en-2-ylethanimidamide?
The canonical SMILES for N'-[(E)-2-methylbut-1-enyl]-N-prop-1-en-2-ylethanimidamide is C=C(C)N/C(C)=N/C=C(\C)CC.
What is the InChIKey of N'-[(E)-2-methylbut-1-enyl]-N-prop-1-en-2-ylethanimidamide?
The InChIKey is VYUYYAFANPFAGD-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-9(4)7-11-10(5)12-8(2)3/h7H,2,6H2,1,3-5H3,(H,11,12)/b9-7+.
What are the key properties of N'-[(E)-2-methylbut-1-enyl]-N-prop-1-en-2-ylethanimidamide?
N'-[(E)-2-methylbut-1-enyl]-N-prop-1-en-2-ylethanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-methylbut-1-enyl]-N-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 144727000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).