N-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine

C12H25NO2 — CID 139356789

IUPACN-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine
SMILESCCOC/C=C\COCCNC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-5-14-9-6-7-10-15-11-8-13-12(2,3)4/h6-7,13H,5,8-11H2,1-4H3/b7-6-
InChIKeyJBLWGKOVLTYCCI-SREVYHEPSA-N
MW215.34 g/mol
LogP1.98
Rot. Bonds8

About N-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine

N-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine (PubChem CID 139356789) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine
PubChem CID139356789
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine
SMILESCCOC/C=C\COCCNC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-5-14-9-6-7-10-15-11-8-13-12(2,3)4/h6-7,13H,5,8-11H2,1-4H3/b7-6-
InChIKeyJBLWGKOVLTYCCI-SREVYHEPSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine (CID 139356789) is N-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine is CCOC/C=C\COCCNC(C)(C)C.
What is the InChIKey of N-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine?
The InChIKey is JBLWGKOVLTYCCI-SREVYHEPSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-14-9-6-7-10-15-11-8-13-12(2,3)4/h6-7,13H,5,8-11H2,1-4H3/b7-6-.
What are the key properties of N-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine?
N-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 139356789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).