N-(2-but-3-enoxyethyl)-3-methoxy-2-methylpropan-1-amine

C11H23NO2 — CID 102672738

IUPACN-(2-but-3-enoxyethyl)-3-methoxy-2-methylpropan-1-amine
SMILESC=CCCOCCNCC(C)COC
InChIInChI=1S/C11H23NO2/c1-4-5-7-14-8-6-12-9-11(2)10-13-3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyXPIAHDXGYZMFRP-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.45
Rot. Bonds10

About N-(2-but-3-enoxyethyl)-3-methoxy-2-methylpropan-1-amine

N-(2-but-3-enoxyethyl)-3-methoxy-2-methylpropan-1-amine (PubChem CID 102672738) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-3-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-3-methoxy-2-methylpropan-1-amine
PubChem CID102672738
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(2-but-3-enoxyethyl)-3-methoxy-2-methylpropan-1-amine
SMILESC=CCCOCCNCC(C)COC
InChIInChI=1S/C11H23NO2/c1-4-5-7-14-8-6-12-9-11(2)10-13-3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyXPIAHDXGYZMFRP-UHFFFAOYSA-N
XLogP1.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.45
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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Related Compounds

N-(2-but-3-enoxyethyl)-3-fluoropropan-1-amine
CID 106401431
N-(2-methoxyethyl)-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
CID 113867470
N-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114184139
N-(2-but-3-enoxyethyl)-2-propoxyethanamine
CID 106401975
N-[2-[3-[(2R)-but-3-en-2-yl]oxypropoxy]ethyl]-2-methylpropan-1-amine
CID 135278444
3-but-3-enoxy-N-(2-ethoxyethyl)butan-1-amine
CID 139417949
3-Ethenyl-3,6-dimethyl-1,4-oxazepane
CID 144295968
6-Ethenyl-1,4-oxazepane
CID 147690927
N-[2-[2-[2-(3-methylbut-3-enoxy)ethylamino]ethoxy]ethyl]propan-1-amine
CID 154950733
N-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene
CID 169113520
N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 171646718
3-but-3-enoxy-N-methylpropan-1-amine
CID 62440751

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-3-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-3-methoxy-2-methylpropan-1-amine (CID 102672738) is N-(2-but-3-enoxyethyl)-3-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-3-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-3-methoxy-2-methylpropan-1-amine is C=CCCOCCNCC(C)COC.
What is the InChIKey of N-(2-but-3-enoxyethyl)-3-methoxy-2-methylpropan-1-amine?
The InChIKey is XPIAHDXGYZMFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-5-7-14-8-6-12-9-11(2)10-13-3/h4,11-12H,1,5-10H2,2-3H3.
What are the key properties of N-(2-but-3-enoxyethyl)-3-methoxy-2-methylpropan-1-amine?
N-(2-but-3-enoxyethyl)-3-methoxy-2-methylpropan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-3-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 102672738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).