N',2-dimethyl-N-(3-methylbut-1-en-2-yl)prop-2-enimidamide

C10H18N2 — CID 174313487

IUPACN',2-dimethyl-N-(3-methylbut-1-en-2-yl)prop-2-enimidamide
SMILESC=C(C)/C(=N\C)NC(=C)C(C)C
InChIInChI=1S/C10H18N2/c1-7(2)9(5)12-10(11-6)8(3)4/h7H,3,5H2,1-2,4,6H3,(H,11,12)
InChIKeyZKQOGTDAXUIWPA-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.35
Rot. Bonds3

About N',2-dimethyl-N-(3-methylbut-1-en-2-yl)prop-2-enimidamide

N',2-dimethyl-N-(3-methylbut-1-en-2-yl)prop-2-enimidamide (PubChem CID 174313487) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N',2-dimethyl-N-(3-methylbut-1-en-2-yl)prop-2-enimidamide.

Molecular Properties

Compound NameN',2-dimethyl-N-(3-methylbut-1-en-2-yl)prop-2-enimidamide
PubChem CID174313487
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN',2-dimethyl-N-(3-methylbut-1-en-2-yl)prop-2-enimidamide
SMILESC=C(C)/C(=N\C)NC(=C)C(C)C
InChIInChI=1S/C10H18N2/c1-7(2)9(5)12-10(11-6)8(3)4/h7H,3,5H2,1-2,4,6H3,(H,11,12)
InChIKeyZKQOGTDAXUIWPA-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N-(3-methylbut-1-en-2-yl)prop-2-enimidamide?
The IUPAC name of N',2-dimethyl-N-(3-methylbut-1-en-2-yl)prop-2-enimidamide (CID 174313487) is N',2-dimethyl-N-(3-methylbut-1-en-2-yl)prop-2-enimidamide.
What is the SMILES notation for N',2-dimethyl-N-(3-methylbut-1-en-2-yl)prop-2-enimidamide?
The canonical SMILES for N',2-dimethyl-N-(3-methylbut-1-en-2-yl)prop-2-enimidamide is C=C(C)/C(=N\C)NC(=C)C(C)C.
What is the InChIKey of N',2-dimethyl-N-(3-methylbut-1-en-2-yl)prop-2-enimidamide?
The InChIKey is ZKQOGTDAXUIWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-7(2)9(5)12-10(11-6)8(3)4/h7H,3,5H2,1-2,4,6H3,(H,11,12).
What are the key properties of N',2-dimethyl-N-(3-methylbut-1-en-2-yl)prop-2-enimidamide?
N',2-dimethyl-N-(3-methylbut-1-en-2-yl)prop-2-enimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N-(3-methylbut-1-en-2-yl)prop-2-enimidamide is sourced from PubChem (CID 174313487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).