2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine

C10H19NO — CID 103074244

IUPAC2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine
SMILESC=CCCOCC(=C)CNCC
InChIInChI=1S/C10H19NO/c1-4-6-7-12-9-10(3)8-11-5-2/h4,11H,1,3,5-9H2,2H3
InChIKeyOLIPAPWPBQRTCX-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.74
Rot. Bonds8

About 2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine

2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine (PubChem CID 103074244) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine
PubChem CID103074244
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine
SMILESC=CCCOCC(=C)CNCC
InChIInChI=1S/C10H19NO/c1-4-6-7-12-9-10(3)8-11-5-2/h4,11H,1,3,5-9H2,2H3
InChIKeyOLIPAPWPBQRTCX-UHFFFAOYSA-N
XLogP1.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-prop-2-enoxy-N-propylpropan-1-amine
CID 62442457
N-methyl-2-[3-(methylamino)propoxymethyl]prop-2-en-1-amine
CID 89501895
3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen
CID 142038615
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
2-[(But-3-enylamino)methyl]prop-2-enyl acetate
CID 16121168
3-but-3-enoxy-N-methylpropan-1-amine
CID 62440751
3-but-3-enoxy-N-ethylpropan-1-amine
CID 62440752
N-ethyl-3-prop-2-enoxypropan-1-amine
CID 62442471
2-methyl-N-(3-prop-2-enoxypropyl)propan-2-amine
CID 62442636
2-methyl-N-(3-prop-2-enoxypropyl)propan-1-amine
CID 62442637
3-but-3-enoxy-N-propylpropan-1-amine
CID 62442851

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine?
The IUPAC name of 2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine (CID 103074244) is 2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine?
The canonical SMILES for 2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine is C=CCCOCC(=C)CNCC.
What is the InChIKey of 2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine?
The InChIKey is OLIPAPWPBQRTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-6-7-12-9-10(3)8-11-5-2/h4,11H,1,3,5-9H2,2H3.
What are the key properties of 2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine?
2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-enoxymethyl)-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 103074244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).