N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine

C9H17NO — CID 103074315

IUPACN-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
SMILESC=CCOCC(=C)CNCC
InChIInChI=1S/C9H17NO/c1-4-6-11-8-9(3)7-10-5-2/h4,10H,1,3,5-8H2,2H3
InChIKeyIBGFVZIWTOLHDV-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.35
Rot. Bonds7

About N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine

N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine (PubChem CID 103074315) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
PubChem CID103074315
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
SMILESC=CCOCC(=C)CNCC
InChIInChI=1S/C9H17NO/c1-4-6-11-8-9(3)7-10-5-2/h4,10H,1,3,5-8H2,2H3
InChIKeyIBGFVZIWTOLHDV-UHFFFAOYSA-N
XLogP1.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.35
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

N-ethyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074342
N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074499
2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine
CID 103074933
2-(2,2-difluoroethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103075025
2-(2,2-difluoroethoxymethyl)-N-propylprop-2-en-1-amine
CID 103075031
N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075039
N-propyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075045
N-ethyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075053
N-propyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075059
[2,2-Difluoro-3-(prop-2-en-1-yloxy)propyl](propyl)amine
CID 165784769
N-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine
CID 20806715

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine (CID 103074315) is N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine is C=CCOCC(=C)CNCC.
What is the InChIKey of N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine?
The InChIKey is IBGFVZIWTOLHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-11-8-9(3)7-10-5-2/h4,10H,1,3,5-8H2,2H3.
What are the key properties of N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine?
N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).