N-ethyl-2,2-dimethylpropan-1-imine;N-ethylethanimine

C11H24N2 — CID 161369212

IUPACN-ethyl-2,2-dimethylpropan-1-imine;N-ethylethanimine
SMILESC/C=N/CC.CC/N=C/C(C)(C)C
InChIInChI=1S/C7H15N.C4H9N/c1-5-8-6-7(2,3)4;1-3-5-4-2/h6H,5H2,1-4H3;3H,4H2,1-2H3/b8-6+;5-3+
InChIKeyVQFWBINVWRALDM-UNWTVCOISA-N
MW184.33 g/mol
LogP3.22
Rot. Bonds2

About N-ethyl-2,2-dimethylpropan-1-imine;N-ethylethanimine

N-ethyl-2,2-dimethylpropan-1-imine;N-ethylethanimine (PubChem CID 161369212) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-ethyl-2,2-dimethylpropan-1-imine;N-ethylethanimine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethylpropan-1-imine;N-ethylethanimine
PubChem CID161369212
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-ethyl-2,2-dimethylpropan-1-imine;N-ethylethanimine
SMILESC/C=N/CC.CC/N=C/C(C)(C)C
InChIInChI=1S/C7H15N.C4H9N/c1-5-8-6-7(2,3)4;1-3-5-4-2/h6H,5H2,1-4H3;3H,4H2,1-2H3/b8-6+;5-3+
InChIKeyVQFWBINVWRALDM-UNWTVCOISA-N
XLogP3.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethylimino-2-methylbutan-2-amine
CID 129033469
N'-ethyl-N-(2-methyl-2-sulfanylpropylidene)methanimidamide
CID 143366592
(Z)-N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine
CID 58200065
(Z)-N-ethoxy-2,2-dimethylpropan-1-imine
CID 58714329
2-(2,2-dimethylpropylideneamino)-N-methylacetamide
CID 86129333
N-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine
CID 147234232
2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine
CID 118185042
N-ethylmethanimidoyl fluoride
CID 145275129
N-butylethanimine;ethane
CID 142024896
N-(2-methylpentan-2-yl)ethanimine
CID 91118241
2-methyl-1-propyliminobutan-2-ol
CID 118185054
N-ethyl-3,3-dimethylpent-4-en-1-imine
CID 13119720

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethylpropan-1-imine;N-ethylethanimine?
The IUPAC name of N-ethyl-2,2-dimethylpropan-1-imine;N-ethylethanimine (CID 161369212) is N-ethyl-2,2-dimethylpropan-1-imine;N-ethylethanimine.
What is the SMILES notation for N-ethyl-2,2-dimethylpropan-1-imine;N-ethylethanimine?
The canonical SMILES for N-ethyl-2,2-dimethylpropan-1-imine;N-ethylethanimine is C/C=N/CC.CC/N=C/C(C)(C)C.
What is the InChIKey of N-ethyl-2,2-dimethylpropan-1-imine;N-ethylethanimine?
The InChIKey is VQFWBINVWRALDM-UNWTVCOISA-N. The full InChI is InChI=1S/C7H15N.C4H9N/c1-5-8-6-7(2,3)4;1-3-5-4-2/h6H,5H2,1-4H3;3H,4H2,1-2H3/b8-6+;5-3+.
What are the key properties of N-ethyl-2,2-dimethylpropan-1-imine;N-ethylethanimine?
N-ethyl-2,2-dimethylpropan-1-imine;N-ethylethanimine has a molecular weight of 184.33 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethylpropan-1-imine;N-ethylethanimine is sourced from PubChem (CID 161369212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).