N-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide

C11H20N2 — CID 123668013

IUPACN-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
SMILESCC=C(C)N/C(C)=N/C(C)=C(C)C
InChIInChI=1S/C11H20N2/c1-7-9(4)12-11(6)13-10(5)8(2)3/h7H,1-6H3,(H,12,13)
InChIKeyROKVRKUCGBRYII-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.23
Rot. Bonds2

About N-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide

N-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide (PubChem CID 123668013) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide.

Molecular Properties

Compound NameN-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
PubChem CID123668013
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
SMILESCC=C(C)N/C(C)=N/C(C)=C(C)C
InChIInChI=1S/C11H20N2/c1-7-9(4)12-11(6)13-10(5)8(2)3/h7H,1-6H3,(H,12,13)
InChIKeyROKVRKUCGBRYII-UHFFFAOYSA-N
XLogP3.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.23
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',2-dimethyl-N-prop-1-en-2-ylpropanimidamide
CID 89152922
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,N'-bis(but-2-en-2-yl)ethanimidamide
CID 123267429
N,N'-bis(but-2-en-2-yl)propanimidamide
CID 123391975
N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide
CID 123451617
N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide
CID 123655703
(E)-N'-ethyl-N-prop-1-en-2-ylbut-2-enimidamide
CID 124182032
N'-methyl-N-[(2Z)-penta-2,4-dien-2-yl]ethanimidamide
CID 126636618
N'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide
CID 134376358
N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide
CID 138527588
N'-buta-1,3-dien-2-yl-N-[(2E)-penta-2,4-dien-2-yl]ethanimidamide
CID 139305356

Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide?
The IUPAC name of N-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide (CID 123668013) is N-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide.
What is the SMILES notation for N-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide?
The canonical SMILES for N-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide is CC=C(C)N/C(C)=N/C(C)=C(C)C.
What is the InChIKey of N-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide?
The InChIKey is ROKVRKUCGBRYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-7-9(4)12-11(6)13-10(5)8(2)3/h7H,1-6H3,(H,12,13).
What are the key properties of N-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide?
N-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide has a molecular weight of 180.29 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide is sourced from PubChem (CID 123668013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).