2-(2-ethylhexoxymethyl)prop-2-en-1-amine

C12H25NO — CID 103074536

IUPAC2-(2-ethylhexoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCC(CC)CCCC
InChIInChI=1S/C12H25NO/c1-4-6-7-12(5-2)10-14-9-11(3)8-13/h12H,3-10,13H2,1-2H3
InChIKeyNKXKMHGLKATXIV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.73
Rot. Bonds9

About 2-(2-ethylhexoxymethyl)prop-2-en-1-amine

2-(2-ethylhexoxymethyl)prop-2-en-1-amine (PubChem CID 103074536) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(2-ethylhexoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(2-ethylhexoxymethyl)prop-2-en-1-amine
PubChem CID103074536
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(2-ethylhexoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCC(CC)CCCC
InChIInChI=1S/C12H25NO/c1-4-6-7-12(5-2)10-14-9-11(3)8-13/h12H,3-10,13H2,1-2H3
InChIKeyNKXKMHGLKATXIV-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Ethylhexoxy)but-2-en-1-amine
CID 77110142
2-(3-Methylbutoxymethyl)prop-2-en-1-amine
CID 103074387
2-[(4-Methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074400
2-[(2-Ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074406
2-[(2-Methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074413
2-(4-Methylpentan-2-yloxymethyl)prop-2-en-1-amine
CID 103074482
2-(Heptoxymethyl)prop-2-en-1-amine
CID 103074513
N-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine
CID 103074533
2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074534
2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine
CID 103074537
2-(4-Methylpentoxymethyl)prop-2-en-1-amine
CID 103074543
2-(Hexoxymethyl)prop-2-en-1-amine
CID 103074557

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(2-ethylhexoxymethyl)prop-2-en-1-amine (CID 103074536) is 2-(2-ethylhexoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(2-ethylhexoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(2-ethylhexoxymethyl)prop-2-en-1-amine is C=C(CN)COCC(CC)CCCC.
What is the InChIKey of 2-(2-ethylhexoxymethyl)prop-2-en-1-amine?
The InChIKey is NKXKMHGLKATXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-6-7-12(5-2)10-14-9-11(3)8-13/h12H,3-10,13H2,1-2H3.
What are the key properties of 2-(2-ethylhexoxymethyl)prop-2-en-1-amine?
2-(2-ethylhexoxymethyl)prop-2-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).