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

C12H24N2O2 — CID 156530867

IUPAC3-ethoxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine
SMILESC=C(C)NCCOCCNC(=C)COCC
InChIInChI=1S/C12H24N2O2/c1-5-15-10-12(4)14-7-9-16-8-6-13-11(2)3/h13-14H,2,4-10H2,1,3H3
InChIKeyLYDKJACKCIQSBF-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.27
Rot. Bonds11

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

3-ethoxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine (PubChem CID 156530867) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-ethoxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine
PubChem CID156530867
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-ethoxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine
SMILESC=C(C)NCCOCCNC(=C)COCC
InChIInChI=1S/C12H24N2O2/c1-5-15-10-12(4)14-7-9-16-8-6-13-11(2)3/h13-14H,2,4-10H2,1,3H3
InChIKeyLYDKJACKCIQSBF-UHFFFAOYSA-N
XLogP1.27
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-ethoxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine?
The IUPAC name of 3-ethoxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine (CID 156530867) is 3-ethoxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine.
What is the SMILES notation for 3-ethoxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine?
The canonical SMILES for 3-ethoxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine is C=C(C)NCCOCCNC(=C)COCC.
What is the InChIKey of 3-ethoxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine?
The InChIKey is LYDKJACKCIQSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-15-10-12(4)14-7-9-16-8-6-13-11(2)3/h13-14H,2,4-10H2,1,3H3.
What are the key properties of 3-ethoxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine?
3-ethoxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine has a molecular weight of 228.34 g/mol, XLogP of 1.27, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine is sourced from PubChem (CID 156530867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).