2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-en-1-amine

C10H21NO2 — CID 106666328

IUPAC2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-en-1-amine
SMILESC=C(CN)COCCC(C)(C)OC
InChIInChI=1S/C10H21NO2/c1-9(7-11)8-13-6-5-10(2,3)12-4/h1,5-8,11H2,2-4H3
InChIKeyLEWWKMJYCZKPMH-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.33
Rot. Bonds7

About 2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-en-1-amine

2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-en-1-amine (PubChem CID 106666328) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-en-1-amine
PubChem CID106666328
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-en-1-amine
SMILESC=C(CN)COCCC(C)(C)OC
InChIInChI=1S/C10H21NO2/c1-9(7-11)8-13-6-5-10(2,3)12-4/h1,5-8,11H2,2-4H3
InChIKeyLEWWKMJYCZKPMH-UHFFFAOYSA-N
XLogP1.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.33
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 2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-en-1-amine?
The IUPAC name of 2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-en-1-amine (CID 106666328) is 2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-en-1-amine is C=C(CN)COCCC(C)(C)OC.
What is the InChIKey of 2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-en-1-amine?
The InChIKey is LEWWKMJYCZKPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(7-11)8-13-6-5-10(2,3)12-4/h1,5-8,11H2,2-4H3.
What are the key properties of 2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-en-1-amine?
2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-en-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-en-1-amine is sourced from PubChem (CID 106666328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).