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

C15H28N2O — CID 43771254

IUPACN-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESC=COCCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C15H28N2O/c1-4-18-13-5-9-16-15-7-11-17(12-8-15)10-6-14(2)3/h4,6,15-16H,1,5,7-13H2,2-3H3
InChIKeyFOQYTVSBIAWIHT-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds8

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

N-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 43771254) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID43771254
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESC=COCCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C15H28N2O/c1-4-18-13-5-9-16-15-7-11-17(12-8-15)10-6-14(2)3/h4,6,15-16H,1,5,7-13H2,2-3H3
InChIKeyFOQYTVSBIAWIHT-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3-ethenoxypropyl)-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-(3-ethenoxypropyl)-1-propan-2-ylpiperidin-4-amine
CID 28725798
1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine
CID 123724092
N-(3-ethenoxypropyl)-1-methylpiperidin-4-amine
CID 28725790
N-(3-ethenoxypropyl)-1-ethylpiperidin-4-amine
CID 28725800
N-(3-ethenoxypropyl)-1-propylpiperidin-4-amine
CID 28725808
1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine
CID 43755403
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-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43765303
N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43769589
1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine
CID 43770121
3-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 43770605

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 43771254) is N-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is C=COCCCNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of N-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is FOQYTVSBIAWIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-18-13-5-9-16-15-7-11-17(12-8-15)10-6-14(2)3/h4,6,15-16H,1,5,7-13H2,2-3H3.
What are the key properties of N-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 252.40 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 43771254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).