N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine

C15H31NO2 — CID 126654288

IUPACN-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)COC/C=C\COCCNC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-14(2,3)13-18-11-8-7-10-17-12-9-16-15(4,5)6/h7-8,16H,9-13H2,1-6H3/b8-7-
InChIKeyCQFXPJPNKRABEB-FPLPWBNLSA-N
MW257.42 g/mol
LogP3.01
Rot. Bonds8

About N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine

N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine (PubChem CID 126654288) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine
PubChem CID126654288
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)COC/C=C\COCCNC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-14(2,3)13-18-11-8-7-10-17-12-9-16-15(4,5)6/h7-8,16H,9-13H2,1-6H3/b8-7-
InChIKeyCQFXPJPNKRABEB-FPLPWBNLSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.01
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-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine (CID 126654288) is N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine is CC(C)(C)COC/C=C\COCCNC(C)(C)C.
What is the InChIKey of N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine?
The InChIKey is CQFXPJPNKRABEB-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H31NO2/c1-14(2,3)13-18-11-8-7-10-17-12-9-16-15(4,5)6/h7-8,16H,9-13H2,1-6H3/b8-7-.
What are the key properties of N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine?
N-[2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine has a molecular weight of 257.42 g/mol, XLogP of 3.01, 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-(2,2-dimethylpropoxy)but-2-enoxy]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 126654288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).