N-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine

C12H24N2O — CID 82710058

IUPACN-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCCONC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-4-15-13-12-6-9-14(10-7-12)8-5-11(2)3/h5,12-13H,4,6-10H2,1-3H3
InChIKeyOZGXYIUARNOAFA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.96
Rot. Bonds5

About N-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine

N-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 82710058) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID82710058
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCCONC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-4-15-13-12-6-9-14(10-7-12)8-5-11(2)3/h5,12-13H,4,6-10H2,1-3H3
InChIKeyOZGXYIUARNOAFA-UHFFFAOYSA-N
XLogP1.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-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

N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
N-cyclobutyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 62415331
N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine
CID 63848559
N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82709542
N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine
CID 106191040
1-(3-methylbut-2-enyl)-N-(3-methylcyclobutyl)piperidin-4-amine
CID 115892408
1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine
CID 43755403
1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine
CID 115566614
1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine
CID 54954604
methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate
CID 43774735
N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 103779857
4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 64911106

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 82710058) is N-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine is CCONC1CCN(CC=C(C)C)CC1.
What is the InChIKey of N-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is OZGXYIUARNOAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-15-13-12-6-9-14(10-7-12)8-5-11(2)3/h5,12-13H,4,6-10H2,1-3H3.
What are the key properties of N-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 212.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 82710058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).