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

C12H25NO — CID 103074552

IUPACN-ethyl-2-(hexoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCCCCCC
InChIInChI=1S/C12H25NO/c1-4-6-7-8-9-14-11-12(3)10-13-5-2/h13H,3-11H2,1-2H3
InChIKeyGJSCGUAJMLMCTQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds10

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

N-ethyl-2-(hexoxymethyl)prop-2-en-1-amine (PubChem CID 103074552) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-ethyl-2-(hexoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(hexoxymethyl)prop-2-en-1-amine
PubChem CID103074552
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-ethyl-2-(hexoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCCCCCC
InChIInChI=1S/C12H25NO/c1-4-6-7-8-9-14-11-12(3)10-13-5-2/h13H,3-11H2,1-2H3
InChIKeyGJSCGUAJMLMCTQ-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
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'}

Analyze N-ethyl-2-(hexoxymethyl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-N-(2-methylprop-2-enyl)hexan-1-amine
CID 88906819
N-methyl-2-[3-(methylamino)propoxymethyl]prop-2-en-1-amine
CID 89501895
N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine
CID 139904426
3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
2-[2-(2-Methylprop-2-enoxy)ethyl]pyrrolidine
CID 84050137
N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074315
2-(prop-2-enoxymethyl)-N-propylprop-2-en-1-amine
CID 103074319
2-(cyclohexyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074322
2-(cyclohexyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074324
N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine
CID 103074325
2-(cyclohexyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074326

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(hexoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-(hexoxymethyl)prop-2-en-1-amine (CID 103074552) is N-ethyl-2-(hexoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-(hexoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-(hexoxymethyl)prop-2-en-1-amine is C=C(CNCC)COCCCCCC.
What is the InChIKey of N-ethyl-2-(hexoxymethyl)prop-2-en-1-amine?
The InChIKey is GJSCGUAJMLMCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-6-7-8-9-14-11-12(3)10-13-5-2/h13H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2-(hexoxymethyl)prop-2-en-1-amine?
N-ethyl-2-(hexoxymethyl)prop-2-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(hexoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).