(Z)-N-ethoxy-2,2-dimethylpropan-1-imine

C7H15NO — CID 58714329

IUPAC(Z)-N-ethoxy-2,2-dimethylpropan-1-imine
SMILESCCO/N=C\C(C)(C)C
InChIInChI=1S/C7H15NO/c1-5-9-8-6-7(2,3)4/h6H,5H2,1-4H3/b8-6-
InChIKeyHPQWSAQYOXKGMG-VURMDHGXSA-N
MW129.20 g/mol
LogP2.05
Rot. Bonds2

About (Z)-N-ethoxy-2,2-dimethylpropan-1-imine

(Z)-N-ethoxy-2,2-dimethylpropan-1-imine (PubChem CID 58714329) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (Z)-N-ethoxy-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound Name(Z)-N-ethoxy-2,2-dimethylpropan-1-imine
PubChem CID58714329
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(Z)-N-ethoxy-2,2-dimethylpropan-1-imine
SMILESCCO/N=C\C(C)(C)C
InChIInChI=1S/C7H15NO/c1-5-9-8-6-7(2,3)4/h6H,5H2,1-4H3/b8-6-
InChIKeyHPQWSAQYOXKGMG-VURMDHGXSA-N
XLogP2.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-ethoxyethanimine
CID 5466565
2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine
CID 602213
tert-butyl N-[(2E)-2-ethoxyiminoethyl]carbamate
CID 90292898
N-tert-butyl-2,2-dimethylpropan-1-amine;(E)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-imine
CID 172939419
ethane;(Z)-N-ethoxybutan-1-imine
CID 164540102
2,2,5,5-tetraethoxyhexane
CID 42611383
4-(ethoxyiminomethyl)aniline
CID 123299913
(E)-N-ethoxy-1-(2-methylphenyl)methanimine
CID 88956534
5-(ethoxyiminomethyl)benzene-1,2,3-triol
CID 136660682
(E)-N-ethoxy-1-(4-nitrosophenyl)methanimine
CID 126675164
4-ethoxyiminobutane-2-thiol
CID 151550749
(E)-N-ethoxy-1-(oxiran-2-yl)methanimine
CID 10351675

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethoxy-2,2-dimethylpropan-1-imine?
The IUPAC name of (Z)-N-ethoxy-2,2-dimethylpropan-1-imine (CID 58714329) is (Z)-N-ethoxy-2,2-dimethylpropan-1-imine.
What is the SMILES notation for (Z)-N-ethoxy-2,2-dimethylpropan-1-imine?
The canonical SMILES for (Z)-N-ethoxy-2,2-dimethylpropan-1-imine is CCO/N=C\C(C)(C)C.
What is the InChIKey of (Z)-N-ethoxy-2,2-dimethylpropan-1-imine?
The InChIKey is HPQWSAQYOXKGMG-VURMDHGXSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-9-8-6-7(2,3)4/h6H,5H2,1-4H3/b8-6-.
What are the key properties of (Z)-N-ethoxy-2,2-dimethylpropan-1-imine?
(Z)-N-ethoxy-2,2-dimethylpropan-1-imine has a molecular weight of 129.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethoxy-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 58714329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).