N-[(E)-2,3-dimethylbut-1-enyl]-N'-ethenyl-N-methylprop-2-ynimidamide

C12H18N2 — CID 170110414

IUPACN-[(E)-2,3-dimethylbut-1-enyl]-N'-ethenyl-N-methylprop-2-ynimidamide
SMILESC#C/C(=N\C=C)N(C)/C=C(\C)C(C)C
InChIInChI=1S/C12H18N2/c1-7-12(13-8-2)14(6)9-11(5)10(3)4/h1,8-10H,2H2,3-6H3/b11-9+,13-12+
InChIKeyJOYDZOSGQXJNLT-GNDASISDSA-N
MW190.29 g/mol
LogP2.65
Rot. Bonds3

About N-[(E)-2,3-dimethylbut-1-enyl]-N'-ethenyl-N-methylprop-2-ynimidamide

N-[(E)-2,3-dimethylbut-1-enyl]-N'-ethenyl-N-methylprop-2-ynimidamide (PubChem CID 170110414) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-[(E)-2,3-dimethylbut-1-enyl]-N'-ethenyl-N-methylprop-2-ynimidamide.

Molecular Properties

Compound NameN-[(E)-2,3-dimethylbut-1-enyl]-N'-ethenyl-N-methylprop-2-ynimidamide
PubChem CID170110414
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-[(E)-2,3-dimethylbut-1-enyl]-N'-ethenyl-N-methylprop-2-ynimidamide
SMILESC#C/C(=N\C=C)N(C)/C=C(\C)C(C)C
InChIInChI=1S/C12H18N2/c1-7-12(13-8-2)14(6)9-11(5)10(3)4/h1,8-10H,2H2,3-6H3/b11-9+,13-12+
InChIKeyJOYDZOSGQXJNLT-GNDASISDSA-N
XLogP2.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dimethylbut-1-enyl]-N'-ethenyl-N-methylprop-2-ynimidamide?
The IUPAC name of N-[(E)-2,3-dimethylbut-1-enyl]-N'-ethenyl-N-methylprop-2-ynimidamide (CID 170110414) is N-[(E)-2,3-dimethylbut-1-enyl]-N'-ethenyl-N-methylprop-2-ynimidamide.
What is the SMILES notation for N-[(E)-2,3-dimethylbut-1-enyl]-N'-ethenyl-N-methylprop-2-ynimidamide?
The canonical SMILES for N-[(E)-2,3-dimethylbut-1-enyl]-N'-ethenyl-N-methylprop-2-ynimidamide is C#C/C(=N\C=C)N(C)/C=C(\C)C(C)C.
What is the InChIKey of N-[(E)-2,3-dimethylbut-1-enyl]-N'-ethenyl-N-methylprop-2-ynimidamide?
The InChIKey is JOYDZOSGQXJNLT-GNDASISDSA-N. The full InChI is InChI=1S/C12H18N2/c1-7-12(13-8-2)14(6)9-11(5)10(3)4/h1,8-10H,2H2,3-6H3/b11-9+,13-12+.
What are the key properties of N-[(E)-2,3-dimethylbut-1-enyl]-N'-ethenyl-N-methylprop-2-ynimidamide?
N-[(E)-2,3-dimethylbut-1-enyl]-N'-ethenyl-N-methylprop-2-ynimidamide has a molecular weight of 190.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dimethylbut-1-enyl]-N'-ethenyl-N-methylprop-2-ynimidamide is sourced from PubChem (CID 170110414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).