N,N-diethyl-2-pent-1-en-2-yloxyethanamine

C11H23NO — CID 129289048

IUPACN,N-diethyl-2-pent-1-en-2-yloxyethanamine
SMILESC=C(CCC)OCCN(CC)CC
InChIInChI=1S/C11H23NO/c1-5-8-11(4)13-10-9-12(6-2)7-3/h4-10H2,1-3H3
InChIKeyCVMODMIOMDEPMY-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.66
Rot. Bonds8

About N,N-diethyl-2-pent-1-en-2-yloxyethanamine

N,N-diethyl-2-pent-1-en-2-yloxyethanamine (PubChem CID 129289048) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N,N-diethyl-2-pent-1-en-2-yloxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-pent-1-en-2-yloxyethanamine
PubChem CID129289048
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN,N-diethyl-2-pent-1-en-2-yloxyethanamine
SMILESC=C(CCC)OCCN(CC)CC
InChIInChI=1S/C11H23NO/c1-5-8-11(4)13-10-9-12(6-2)7-3/h4-10H2,1-3H3
InChIKeyCVMODMIOMDEPMY-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-pent-1-en-2-yloxyethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-pent-1-en-2-yloxyethanamine?
The IUPAC name of N,N-diethyl-2-pent-1-en-2-yloxyethanamine (CID 129289048) is N,N-diethyl-2-pent-1-en-2-yloxyethanamine.
What is the SMILES notation for N,N-diethyl-2-pent-1-en-2-yloxyethanamine?
The canonical SMILES for N,N-diethyl-2-pent-1-en-2-yloxyethanamine is C=C(CCC)OCCN(CC)CC.
What is the InChIKey of N,N-diethyl-2-pent-1-en-2-yloxyethanamine?
The InChIKey is CVMODMIOMDEPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-8-11(4)13-10-9-12(6-2)7-3/h4-10H2,1-3H3.
What are the key properties of N,N-diethyl-2-pent-1-en-2-yloxyethanamine?
N,N-diethyl-2-pent-1-en-2-yloxyethanamine has a molecular weight of 185.31 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-pent-1-en-2-yloxyethanamine is sourced from PubChem (CID 129289048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).