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

C9H18N2 — CID 91170890

IUPACN-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide
SMILESC/C=C(\C)N/C(C)=N/C(C)C
InChIInChI=1S/C9H18N2/c1-6-8(4)11-9(5)10-7(2)3/h6-7H,1-5H3,(H,10,11)/b8-6+
InChIKeyUVYHJEZPJCGJHV-SOFGYWHQSA-N
MW154.26 g/mol
LogP2.33
Rot. Bonds2

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

N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide (PubChem CID 91170890) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide
PubChem CID91170890
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide
SMILESC/C=C(\C)N/C(C)=N/C(C)C
InChIInChI=1S/C9H18N2/c1-6-8(4)11-9(5)10-7(2)3/h6-7H,1-5H3,(H,10,11)/b8-6+
InChIKeyUVYHJEZPJCGJHV-SOFGYWHQSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.33
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'}

Analyze N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide
CID 126707495
2,6-Dimethyl-1,4-dihydropyrimidine
CID 57135030
(5Z,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 68220253
(Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide
CID 90452846
N'-but-2-en-2-yl-N-prop-1-en-2-ylethanimidamide
CID 91073028
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-but-2-en-2-yl-N'-propan-2-ylmethanimidamide
CID 123195959
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
N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide
CID 123655703

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide?
The IUPAC name of N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide (CID 91170890) is N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide?
The canonical SMILES for N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide is C/C=C(\C)N/C(C)=N/C(C)C.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide?
The InChIKey is UVYHJEZPJCGJHV-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-8(4)11-9(5)10-7(2)3/h6-7H,1-5H3,(H,10,11)/b8-6+.
What are the key properties of N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide?
N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.33, 2 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'-propan-2-ylethanimidamide is sourced from PubChem (CID 91170890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).