3-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]but-1-en-2-amine

C12H25NO2 — CID 176971751

IUPAC3-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]but-1-en-2-amine
SMILESC=C(NCCOCCOC(C)C)C(C)C
InChIInChI=1S/C12H25NO2/c1-10(2)12(5)13-6-7-14-8-9-15-11(3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyDQJGSXQOCAJTEX-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.19
Rot. Bonds9

About 3-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]but-1-en-2-amine

3-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]but-1-en-2-amine (PubChem CID 176971751) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]but-1-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]but-1-en-2-amine
PubChem CID176971751
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]but-1-en-2-amine
SMILESC=C(NCCOCCOC(C)C)C(C)C
InChIInChI=1S/C12H25NO2/c1-10(2)12(5)13-6-7-14-8-9-15-11(3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyDQJGSXQOCAJTEX-UHFFFAOYSA-N
XLogP2.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]but-1-en-2-amine?
The IUPAC name of 3-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]but-1-en-2-amine (CID 176971751) is 3-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]but-1-en-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]but-1-en-2-amine?
The canonical SMILES for 3-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]but-1-en-2-amine is C=C(NCCOCCOC(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]but-1-en-2-amine?
The InChIKey is DQJGSXQOCAJTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)12(5)13-6-7-14-8-9-15-11(3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 3-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]but-1-en-2-amine?
3-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]but-1-en-2-amine has a molecular weight of 215.34 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]but-1-en-2-amine is sourced from PubChem (CID 176971751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).