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

C13H26N2O2 — CID 156530866

IUPAC3-propan-2-yloxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine
SMILESC=C(C)NCCOCCNC(=C)COC(C)C
InChIInChI=1S/C13H26N2O2/c1-11(2)14-6-8-16-9-7-15-13(5)10-17-12(3)4/h12,14-15H,1,5-10H2,2-4H3
InChIKeyQRWAKJPFOMBKOD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.65
Rot. Bonds11

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

3-propan-2-yloxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine (PubChem CID 156530866) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine
PubChem CID156530866
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-propan-2-yloxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine
SMILESC=C(C)NCCOCCNC(=C)COC(C)C
InChIInChI=1S/C13H26N2O2/c1-11(2)14-6-8-16-9-7-15-13(5)10-17-12(3)4/h12,14-15H,1,5-10H2,2-4H3
InChIKeyQRWAKJPFOMBKOD-UHFFFAOYSA-N
XLogP1.65
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.65
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-propan-2-yloxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine?
The IUPAC name of 3-propan-2-yloxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine (CID 156530866) is 3-propan-2-yloxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine?
The canonical SMILES for 3-propan-2-yloxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine is C=C(C)NCCOCCNC(=C)COC(C)C.
What is the InChIKey of 3-propan-2-yloxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine?
The InChIKey is QRWAKJPFOMBKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)14-6-8-16-9-7-15-13(5)10-17-12(3)4/h12,14-15H,1,5-10H2,2-4H3.
What are the key properties of 3-propan-2-yloxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine?
3-propan-2-yloxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine has a molecular weight of 242.36 g/mol, XLogP of 1.65, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[2-[2-(prop-1-en-2-ylamino)ethoxy]ethyl]prop-1-en-2-amine is sourced from PubChem (CID 156530866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).