N'-butyl-N-ethenyl-N,2,2-trimethylpropanimidamide

C12H24N2 — CID 129095407

IUPACN'-butyl-N-ethenyl-N,2,2-trimethylpropanimidamide
SMILESC=CN(C)/C(=N\CCCC)C(C)(C)C
InChIInChI=1S/C12H24N2/c1-7-9-10-13-11(12(3,4)5)14(6)8-2/h8H,2,7,9-10H2,1,3-6H3/b13-11-
InChIKeyWALFWGACEMYQMR-QBFSEMIESA-N
MW196.34 g/mol
LogP3.31
Rot. Bonds4

About N'-butyl-N-ethenyl-N,2,2-trimethylpropanimidamide

N'-butyl-N-ethenyl-N,2,2-trimethylpropanimidamide (PubChem CID 129095407) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-butyl-N-ethenyl-N,2,2-trimethylpropanimidamide.

Molecular Properties

Compound NameN'-butyl-N-ethenyl-N,2,2-trimethylpropanimidamide
PubChem CID129095407
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-butyl-N-ethenyl-N,2,2-trimethylpropanimidamide
SMILESC=CN(C)/C(=N\CCCC)C(C)(C)C
InChIInChI=1S/C12H24N2/c1-7-9-10-13-11(12(3,4)5)14(6)8-2/h8H,2,7,9-10H2,1,3-6H3/b13-11-
InChIKeyWALFWGACEMYQMR-QBFSEMIESA-N
XLogP3.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethenyl-2-ethyl-N-methylhexanamide
CID 87457733
2-butyl-1,1-dimethylguanidine;hydroiodide
CID 130748355
N-tert-butyl-N'-butylethanimidamide
CID 164879261
1-butyl-1-ethenyl-2,2-dimethylhydrazine
CID 138623252
1,1,3,3-tetramethyl-2-octadecylguanidine
CID 153446328
2-decyl-1,1,3,3-tetramethylguanidine
CID 13127985
butyl(ethenyl)diazene
CID 89391777
4-methyl-N-pentylpent-1-en-3-imine
CID 123625020
tributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium
CID 163212745
N'-[ethenyl(pentyl)amino]methanimidamide
CID 166768654
ethenol;hexane
CID 22706833
2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide
CID 136598188

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-ethenyl-N,2,2-trimethylpropanimidamide?
The IUPAC name of N'-butyl-N-ethenyl-N,2,2-trimethylpropanimidamide (CID 129095407) is N'-butyl-N-ethenyl-N,2,2-trimethylpropanimidamide.
What is the SMILES notation for N'-butyl-N-ethenyl-N,2,2-trimethylpropanimidamide?
The canonical SMILES for N'-butyl-N-ethenyl-N,2,2-trimethylpropanimidamide is C=CN(C)/C(=N\CCCC)C(C)(C)C.
What is the InChIKey of N'-butyl-N-ethenyl-N,2,2-trimethylpropanimidamide?
The InChIKey is WALFWGACEMYQMR-QBFSEMIESA-N. The full InChI is InChI=1S/C12H24N2/c1-7-9-10-13-11(12(3,4)5)14(6)8-2/h8H,2,7,9-10H2,1,3-6H3/b13-11-.
What are the key properties of N'-butyl-N-ethenyl-N,2,2-trimethylpropanimidamide?
N'-butyl-N-ethenyl-N,2,2-trimethylpropanimidamide has a molecular weight of 196.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-ethenyl-N,2,2-trimethylpropanimidamide is sourced from PubChem (CID 129095407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).