N-ethenyl-N-(2-methylbutyl)ethanimidamide

C9H18N2 — CID 118581484

IUPACN-ethenyl-N-(2-methylbutyl)ethanimidamide
SMILES[H]/N=C(\C)N(C=C)CC(C)CC
InChIInChI=1S/C9H18N2/c1-5-8(3)7-11(6-2)9(4)10/h6,8,10H,2,5,7H2,1,3-4H3/b10-9+
InChIKeyXELFHDOYNGHCGW-MDZDMXLPSA-N
MW154.26 g/mol
LogP2.48
Rot. Bonds4

About N-ethenyl-N-(2-methylbutyl)ethanimidamide

N-ethenyl-N-(2-methylbutyl)ethanimidamide (PubChem CID 118581484) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-ethenyl-N-(2-methylbutyl)ethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N-(2-methylbutyl)ethanimidamide
PubChem CID118581484
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-ethenyl-N-(2-methylbutyl)ethanimidamide
SMILES[H]/N=C(\C)N(C=C)CC(C)CC
InChIInChI=1S/C9H18N2/c1-5-8(3)7-11(6-2)9(4)10/h6,8,10H,2,5,7H2,1,3-4H3/b10-9+
InChIKeyXELFHDOYNGHCGW-MDZDMXLPSA-N
XLogP2.48
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.48
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-(3-methylbutyl)ethanimidamide
CID 63173144
N-ethenyl-N-propylpropanimidamide
CID 90299150
N-ethenyl-N-ethyl-N',2-dimethylbutanimidamide
CID 118519253
ethane;N-ethenyl-N-ethylethanimidamide
CID 142369051
Methanimine;1-(2-methylpropyl)pyrazin-2-imine
CID 142609476
N-butyl-N-ethenylpropanimidamide;ethane;methane
CID 144672533
N-butyl-N-ethenylpropanimidamide;ethane
CID 145001599
N-ethenyl-2,3-dimethyl-N-(2-methylprop-2-enyl)butanimidamide
CID 156182260
N-ethenyl-N-ethyl-2,3-dimethylbutanimidamide
CID 170048090
N-methyl-N-(2-methylbutyl)ethanimidamide
CID 63173185
N-ethyl-N-(2-methylbutyl)ethanimidamide
CID 79470801
1-(2-Methylpropyl)pyrazin-2-imine
CID 142609477

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-(2-methylbutyl)ethanimidamide?
The IUPAC name of N-ethenyl-N-(2-methylbutyl)ethanimidamide (CID 118581484) is N-ethenyl-N-(2-methylbutyl)ethanimidamide.
What is the SMILES notation for N-ethenyl-N-(2-methylbutyl)ethanimidamide?
The canonical SMILES for N-ethenyl-N-(2-methylbutyl)ethanimidamide is [H]/N=C(\C)N(C=C)CC(C)CC.
What is the InChIKey of N-ethenyl-N-(2-methylbutyl)ethanimidamide?
The InChIKey is XELFHDOYNGHCGW-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-8(3)7-11(6-2)9(4)10/h6,8,10H,2,5,7H2,1,3-4H3/b10-9+.
What are the key properties of N-ethenyl-N-(2-methylbutyl)ethanimidamide?
N-ethenyl-N-(2-methylbutyl)ethanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-(2-methylbutyl)ethanimidamide is sourced from PubChem (CID 118581484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).