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

C8H16N2 — CID 153254081

IUPACN'-methyl-N-(3-methylbut-2-en-2-yl)ethanimidamide
SMILESC/N=C(\C)NC(C)=C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)7(3)10-8(4)9-5/h1-5H3,(H,9,10)
InChIKeyWTXLVNMMQYXJDZ-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.94
Rot. Bonds1

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

N'-methyl-N-(3-methylbut-2-en-2-yl)ethanimidamide (PubChem CID 153254081) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N'-methyl-N-(3-methylbut-2-en-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-methylbut-2-en-2-yl)ethanimidamide
PubChem CID153254081
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN'-methyl-N-(3-methylbut-2-en-2-yl)ethanimidamide
SMILESC/N=C(\C)NC(C)=C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)7(3)10-8(4)9-5/h1-5H3,(H,9,10)
InChIKeyWTXLVNMMQYXJDZ-UHFFFAOYSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.94
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'-methyl-N-[(E)-3-methylhept-2-en-2-yl]ethanimidamide
CID 89335896
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
2,5,6-Trimethyl-1,4-dihydropyrimidine
CID 123929018
3-methyl-N-(3-methylbut-2-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 144206943
N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 156898302
ethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 164589415

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3-methylbut-2-en-2-yl)ethanimidamide?
The IUPAC name of N'-methyl-N-(3-methylbut-2-en-2-yl)ethanimidamide (CID 153254081) is N'-methyl-N-(3-methylbut-2-en-2-yl)ethanimidamide.
What is the SMILES notation for N'-methyl-N-(3-methylbut-2-en-2-yl)ethanimidamide?
The canonical SMILES for N'-methyl-N-(3-methylbut-2-en-2-yl)ethanimidamide is C/N=C(\C)NC(C)=C(C)C.
What is the InChIKey of N'-methyl-N-(3-methylbut-2-en-2-yl)ethanimidamide?
The InChIKey is WTXLVNMMQYXJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)7(3)10-8(4)9-5/h1-5H3,(H,9,10).
What are the key properties of N'-methyl-N-(3-methylbut-2-en-2-yl)ethanimidamide?
N'-methyl-N-(3-methylbut-2-en-2-yl)ethanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylbut-2-en-2-yl)ethanimidamide is sourced from PubChem (CID 153254081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).