N-(2-but-3-enoxy-3-methoxypropyl)-2-methylpropan-1-amine

C12H25NO2 — CID 103227728

IUPACN-(2-but-3-enoxy-3-methoxypropyl)-2-methylpropan-1-amine
SMILESC=CCCOC(CNCC(C)C)COC
InChIInChI=1S/C12H25NO2/c1-5-6-7-15-12(10-14-4)9-13-8-11(2)3/h5,11-13H,1,6-10H2,2-4H3
InChIKeyWKUZDARUXFJZMZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.84
Rot. Bonds10

About N-(2-but-3-enoxy-3-methoxypropyl)-2-methylpropan-1-amine

N-(2-but-3-enoxy-3-methoxypropyl)-2-methylpropan-1-amine (PubChem CID 103227728) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2-but-3-enoxy-3-methoxypropyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxy-3-methoxypropyl)-2-methylpropan-1-amine
PubChem CID103227728
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(2-but-3-enoxy-3-methoxypropyl)-2-methylpropan-1-amine
SMILESC=CCCOC(CNCC(C)C)COC
InChIInChI=1S/C12H25NO2/c1-5-6-7-15-12(10-14-4)9-13-8-11(2)3/h5,11-13H,1,6-10H2,2-4H3
InChIKeyWKUZDARUXFJZMZ-UHFFFAOYSA-N
XLogP1.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.84
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

2-ethoxy-N-ethylpent-4-en-1-amine
CID 19107607
N-[2-[3-[(2R)-but-3-en-2-yl]oxypropoxy]ethyl]-2-methylpropan-1-amine
CID 135278444
N-(2-hepta-1,6-dien-4-yloxyethyl)propan-1-amine
CID 138465335
3-but-3-enoxy-N-(2-ethoxyethyl)butan-1-amine
CID 139417949
2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane
CID 145018893
N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 171646718
3-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]but-1-en-2-amine
CID 176971751
2-but-3-enoxy-N,3-dimethylbutan-1-amine
CID 62441508
2-but-3-enoxy-N-ethyl-3-methylbutan-1-amine
CID 62441509
2-but-3-enoxy-3-methyl-N-propylbutan-1-amine
CID 62441510
2-but-3-enoxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 62441511
2-but-3-enoxy-N-tert-butyl-3-methylbutan-1-amine
CID 62441513

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxy-3-methoxypropyl)-2-methylpropan-1-amine?
The IUPAC name of N-(2-but-3-enoxy-3-methoxypropyl)-2-methylpropan-1-amine (CID 103227728) is N-(2-but-3-enoxy-3-methoxypropyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(2-but-3-enoxy-3-methoxypropyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(2-but-3-enoxy-3-methoxypropyl)-2-methylpropan-1-amine is C=CCCOC(CNCC(C)C)COC.
What is the InChIKey of N-(2-but-3-enoxy-3-methoxypropyl)-2-methylpropan-1-amine?
The InChIKey is WKUZDARUXFJZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-6-7-15-12(10-14-4)9-13-8-11(2)3/h5,11-13H,1,6-10H2,2-4H3.
What are the key properties of N-(2-but-3-enoxy-3-methoxypropyl)-2-methylpropan-1-amine?
N-(2-but-3-enoxy-3-methoxypropyl)-2-methylpropan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.84, 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-enoxy-3-methoxypropyl)-2-methylpropan-1-amine is sourced from PubChem (CID 103227728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).