N'-(1-methoxy-2-methylprop-1-enyl)-2-methylbut-3-enimidamide

C10H18N2O — CID 143310849

IUPACN'-(1-methoxy-2-methylprop-1-enyl)-2-methylbut-3-enimidamide
SMILESC=CC(C)/C(N)=N\C(OC)=C(C)C
InChIInChI=1S/C10H18N2O/c1-6-8(4)9(11)12-10(13-5)7(2)3/h6,8H,1H2,2-5H3,(H2,11,12)
InChIKeyVELCJADWTNHERX-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.06
Rot. Bonds4

About N'-(1-methoxy-2-methylprop-1-enyl)-2-methylbut-3-enimidamide

N'-(1-methoxy-2-methylprop-1-enyl)-2-methylbut-3-enimidamide (PubChem CID 143310849) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N'-(1-methoxy-2-methylprop-1-enyl)-2-methylbut-3-enimidamide.

Molecular Properties

Compound NameN'-(1-methoxy-2-methylprop-1-enyl)-2-methylbut-3-enimidamide
PubChem CID143310849
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN'-(1-methoxy-2-methylprop-1-enyl)-2-methylbut-3-enimidamide
SMILESC=CC(C)/C(N)=N\C(OC)=C(C)C
InChIInChI=1S/C10H18N2O/c1-6-8(4)9(11)12-10(13-5)7(2)3/h6,8H,1H2,2-5H3,(H2,11,12)
InChIKeyVELCJADWTNHERX-UHFFFAOYSA-N
XLogP2.06
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1-methoxy-2-methylprop-1-enyl)-2-methylbut-3-enimidamide?
The IUPAC name of N'-(1-methoxy-2-methylprop-1-enyl)-2-methylbut-3-enimidamide (CID 143310849) is N'-(1-methoxy-2-methylprop-1-enyl)-2-methylbut-3-enimidamide.
What is the SMILES notation for N'-(1-methoxy-2-methylprop-1-enyl)-2-methylbut-3-enimidamide?
The canonical SMILES for N'-(1-methoxy-2-methylprop-1-enyl)-2-methylbut-3-enimidamide is C=CC(C)/C(N)=N\C(OC)=C(C)C.
What is the InChIKey of N'-(1-methoxy-2-methylprop-1-enyl)-2-methylbut-3-enimidamide?
The InChIKey is VELCJADWTNHERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-6-8(4)9(11)12-10(13-5)7(2)3/h6,8H,1H2,2-5H3,(H2,11,12).
What are the key properties of N'-(1-methoxy-2-methylprop-1-enyl)-2-methylbut-3-enimidamide?
N'-(1-methoxy-2-methylprop-1-enyl)-2-methylbut-3-enimidamide has a molecular weight of 182.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methoxy-2-methylprop-1-enyl)-2-methylbut-3-enimidamide is sourced from PubChem (CID 143310849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).