N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine

C14H29NO3 — CID 171646718

IUPACN-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine
SMILESC=CC(C)COCCOCCOCCNC(C)C
InChIInChI=1S/C14H29NO3/c1-5-14(4)12-18-11-10-17-9-8-16-7-6-15-13(2)3/h5,13-15H,1,6-12H2,2-4H3
InChIKeyRUZWQOZCOVMPBY-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.86
Rot. Bonds13

About N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine

N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine (PubChem CID 171646718) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine
PubChem CID171646718
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC NameN-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine
SMILESC=CC(C)COCCOCCOCCNC(C)C
InChIInChI=1S/C14H29NO3/c1-5-14(4)12-18-11-10-17-9-8-16-7-6-15-13(2)3/h5,13-15H,1,6-12H2,2-4H3
InChIKeyRUZWQOZCOVMPBY-UHFFFAOYSA-N
XLogP1.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.86
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

N-(2-but-3-enoxyethyl)-2-propoxyethanamine
CID 106401975
2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane
CID 145018893
2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine
CID 153377293
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine
CID 155457194
(2R)-1-methoxy-N-propan-2-ylbut-3-en-2-amine
CID 169695667
N-[2-[2-[(E)-5-methylhex-3-enoxy]ethoxy]ethyl]propan-2-amine
CID 171106532
2-but-3-enoxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 62441511
2-but-3-enoxy-N-ethylethanamine
CID 62441690
N-(2-but-3-enoxyethyl)propan-2-amine
CID 62442682
N-(2-but-3-enoxyethyl)-2-methylpropan-2-amine
CID 62442684
N-(2-but-3-enoxyethyl)-2-methylpropan-1-amine
CID 62442685
N-(2-but-3-enoxyethyl)-2-methoxyethanamine
CID 62597145

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine (CID 171646718) is N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine is C=CC(C)COCCOCCOCCNC(C)C.
What is the InChIKey of N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine?
The InChIKey is RUZWQOZCOVMPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-5-14(4)12-18-11-10-17-9-8-16-7-6-15-13(2)3/h5,13-15H,1,6-12H2,2-4H3.
What are the key properties of N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine?
N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine has a molecular weight of 259.39 g/mol, XLogP of 1.86, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 171646718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).