N-(3-ethoxypropyl)-2-pent-4-enoxypropan-1-amine

C13H27NO2 — CID 79113470

IUPACN-(3-ethoxypropyl)-2-pent-4-enoxypropan-1-amine
SMILESC=CCCCOC(C)CNCCCOCC
InChIInChI=1S/C13H27NO2/c1-4-6-7-11-16-13(3)12-14-9-8-10-15-5-2/h4,13-14H,1,5-12H2,2-3H3
InChIKeyPRIDHDALZIFJMG-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.37
Rot. Bonds12

About N-(3-ethoxypropyl)-2-pent-4-enoxypropan-1-amine

N-(3-ethoxypropyl)-2-pent-4-enoxypropan-1-amine (PubChem CID 79113470) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-pent-4-enoxypropan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-pent-4-enoxypropan-1-amine
PubChem CID79113470
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(3-ethoxypropyl)-2-pent-4-enoxypropan-1-amine
SMILESC=CCCCOC(C)CNCCCOCC
InChIInChI=1S/C13H27NO2/c1-4-6-7-11-16-13(3)12-14-9-8-10-15-5-2/h4,13-14H,1,5-12H2,2-3H3
InChIKeyPRIDHDALZIFJMG-UHFFFAOYSA-N
XLogP2.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.37
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-pent-4-enoxypropan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-pent-4-enoxypropan-1-amine (CID 79113470) is N-(3-ethoxypropyl)-2-pent-4-enoxypropan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-pent-4-enoxypropan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-pent-4-enoxypropan-1-amine is C=CCCCOC(C)CNCCCOCC.
What is the InChIKey of N-(3-ethoxypropyl)-2-pent-4-enoxypropan-1-amine?
The InChIKey is PRIDHDALZIFJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-6-7-11-16-13(3)12-14-9-8-10-15-5-2/h4,13-14H,1,5-12H2,2-3H3.
What are the key properties of N-(3-ethoxypropyl)-2-pent-4-enoxypropan-1-amine?
N-(3-ethoxypropyl)-2-pent-4-enoxypropan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.37, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-pent-4-enoxypropan-1-amine is sourced from PubChem (CID 79113470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).