N-(3-ethenoxypropyl)-1-propylpiperidin-4-amine

C13H26N2O — CID 28725808

IUPACN-(3-ethenoxypropyl)-1-propylpiperidin-4-amine
SMILESC=COCCCNC1CCN(CCC)CC1
InChIInChI=1S/C13H26N2O/c1-3-9-15-10-6-13(7-11-15)14-8-5-12-16-4-2/h4,13-14H,2-3,5-12H2,1H3
InChIKeyGOBJMNSJOSXAPI-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.00
Rot. Bonds8

About N-(3-ethenoxypropyl)-1-propylpiperidin-4-amine

N-(3-ethenoxypropyl)-1-propylpiperidin-4-amine (PubChem CID 28725808) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-1-propylpiperidin-4-amine
PubChem CID28725808
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3-ethenoxypropyl)-1-propylpiperidin-4-amine
SMILESC=COCCCNC1CCN(CCC)CC1
InChIInChI=1S/C13H26N2O/c1-3-9-15-10-6-13(7-11-15)14-8-5-12-16-4-2/h4,13-14H,2-3,5-12H2,1H3
InChIKeyGOBJMNSJOSXAPI-UHFFFAOYSA-N
XLogP2.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.00
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(3-ethenoxypropyl)-1-propylpiperidin-4-amine (CID 28725808) is N-(3-ethenoxypropyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(3-ethenoxypropyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(3-ethenoxypropyl)-1-propylpiperidin-4-amine is C=COCCCNC1CCN(CCC)CC1.
What is the InChIKey of N-(3-ethenoxypropyl)-1-propylpiperidin-4-amine?
The InChIKey is GOBJMNSJOSXAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-9-15-10-6-13(7-11-15)14-8-5-12-16-4-2/h4,13-14H,2-3,5-12H2,1H3.
What are the key properties of N-(3-ethenoxypropyl)-1-propylpiperidin-4-amine?
N-(3-ethenoxypropyl)-1-propylpiperidin-4-amine has a molecular weight of 226.36 g/mol, XLogP of 2.00, 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-propylpiperidin-4-amine is sourced from PubChem (CID 28725808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).