N-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine

C14H28N2O3 — CID 171832820

IUPACN-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine
SMILESC=C(C)NCCOCCOCCOCC(=C)NCC
InChIInChI=1S/C14H28N2O3/c1-5-15-14(4)12-19-11-10-18-9-8-17-7-6-16-13(2)3/h15-16H,2,4-12H2,1,3H3
InChIKeyLBGDOSDEGUMHJH-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.28
Rot. Bonds14

About N-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine

N-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine (PubChem CID 171832820) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine
PubChem CID171832820
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine
SMILESC=C(C)NCCOCCOCCOCC(=C)NCC
InChIInChI=1S/C14H28N2O3/c1-5-15-14(4)12-19-11-10-18-9-8-17-7-6-16-13(2)3/h15-16H,2,4-12H2,1,3H3
InChIKeyLBGDOSDEGUMHJH-UHFFFAOYSA-N
XLogP1.28
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine?
The IUPAC name of N-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine (CID 171832820) is N-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine.
What is the SMILES notation for N-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine?
The canonical SMILES for N-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine is C=C(C)NCCOCCOCCOCC(=C)NCC.
What is the InChIKey of N-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine?
The InChIKey is LBGDOSDEGUMHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-15-14(4)12-19-11-10-18-9-8-17-7-6-16-13(2)3/h15-16H,2,4-12H2,1,3H3.
What are the key properties of N-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine?
N-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine has a molecular weight of 272.39 g/mol, XLogP of 1.28, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]prop-1-en-2-amine is sourced from PubChem (CID 171832820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).