N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine

C14H28N2O — CID 113350877

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine
SMILESC=C(C)COCCNC1CCN(CCC)CC1
InChIInChI=1S/C14H28N2O/c1-4-8-16-9-5-14(6-10-16)15-7-11-17-12-13(2)3/h14-15H,2,4-12H2,1,3H3
InChIKeyOJZACWKASMSUNP-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine

N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine (PubChem CID 113350877) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine
PubChem CID113350877
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine
SMILESC=C(C)COCCNC1CCN(CCC)CC1
InChIInChI=1S/C14H28N2O/c1-4-8-16-9-5-14(6-10-16)15-7-11-17-12-13(2)3/h14-15H,2,4-12H2,1,3H3
InChIKeyOJZACWKASMSUNP-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-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

1-[2-(1-fluoroprop-2-enoxy)ethyl]-N-methylpiperidin-3-amine
CID 169661443
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115901493
2-(2-Methylprop-2-enoxymethyl)piperazine
CID 58625933
(2R)-2-(2-methylprop-2-enoxymethyl)piperazine
CID 69214785
1-(2-Prop-2-enoxyethyl)piperidin-4-amine
CID 156882716
N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43756290
N-(1-methoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758405
N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43778419
N-(2-butoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61170311
N-[2-(2-methoxyethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61821180
N-(1-ethoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61821306
2-(2-Methylprop-2-enoxymethyl)piperidine
CID 62339397

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine (CID 113350877) is N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine is C=C(C)COCCNC1CCN(CCC)CC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine?
The InChIKey is OJZACWKASMSUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-8-16-9-5-14(6-10-16)15-7-11-17-12-13(2)3/h14-15H,2,4-12H2,1,3H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 113350877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).