2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane

C17H39NO3 — CID 145018893

IUPAC2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane
SMILESC=CCCOCCOCCNC.CCC.COC(C)(C)C
InChIInChI=1S/C9H19NO2.C5H12O.C3H8/c1-3-4-6-11-8-9-12-7-5-10-2;1-5(2,3)6-4;1-3-2/h3,10H,1,4-9H2,2H3;1-4H3;3H2,1-2H3
InChIKeyAGSGABJZCPEJRU-UHFFFAOYSA-N
MW305.50 g/mol
LogP3.66
Rot. Bonds9

About 2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane

2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane (PubChem CID 145018893) has the molecular formula C17H39NO3 and a molecular weight of 305.50 g/mol. Its IUPAC name is 2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane.

Molecular Properties

Compound Name2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane
PubChem CID145018893
Molecular FormulaC17H39NO3
Molecular Weight305.50 g/mol
Exact Mass305.29
IUPAC Name2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane
SMILESC=CCCOCCOCCNC.CCC.COC(C)(C)C
InChIInChI=1S/C9H19NO2.C5H12O.C3H8/c1-3-4-6-11-8-9-12-7-5-10-2;1-5(2,3)6-4;1-3-2/h3,10H,1,4-9H2,2H3;1-4H3;3H2,1-2H3
InChIKeyAGSGABJZCPEJRU-UHFFFAOYSA-N
XLogP3.66
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 142382423
N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 171646718
2-but-3-enoxy-3-methoxy-N-propylpropan-1-amine
CID 103227723
2-but-3-enoxy-N-ethyl-3-methoxypropan-1-amine
CID 103227726
N-(2-but-3-enoxy-3-methoxypropyl)-2-methylpropan-1-amine
CID 103227728
2-but-3-enoxy-3-methoxy-N-methylpropan-1-amine
CID 103227730
1-(2-But-3-enoxyethylamino)-2-methylpropan-2-ol
CID 103852823
2-but-3-enoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 106401437
2-but-3-enoxy-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]ethanamine
CID 106401441
2-but-3-enoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
CID 106401632
2-but-3-enoxy-N-[2-(2-methoxyethoxy)ethyl]ethanamine
CID 106401935
N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]prop-2-en-1-amine
CID 112590220

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane?
The IUPAC name of 2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane (CID 145018893) is 2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane.
What is the SMILES notation for 2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane?
The canonical SMILES for 2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane is C=CCCOCCOCCNC.CCC.COC(C)(C)C.
What is the InChIKey of 2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane?
The InChIKey is AGSGABJZCPEJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C5H12O.C3H8/c1-3-4-6-11-8-9-12-7-5-10-2;1-5(2,3)6-4;1-3-2/h3,10H,1,4-9H2,2H3;1-4H3;3H2,1-2H3.
What are the key properties of 2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane?
2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane has a molecular weight of 305.50 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane is sourced from PubChem (CID 145018893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).