2-[2-[2-[2-(3-methylpent-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol

C14H29NO4 — CID 177242706

IUPAC2-[2-[2-[2-(3-methylpent-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol
SMILESC=C(NCCOCCOCCOCCO)C(C)CC
InChIInChI=1S/C14H29NO4/c1-4-13(2)14(3)15-5-7-17-9-11-19-12-10-18-8-6-16/h13,15-16H,3-12H2,1-2H3
InChIKeyBPEAEGNMUBAYEC-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.18
Rot. Bonds14

About 2-[2-[2-[2-(3-methylpent-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-(3-methylpent-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 177242706) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[2-[2-[2-(3-methylpent-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-(3-methylpent-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol
PubChem CID177242706
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name2-[2-[2-[2-(3-methylpent-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol
SMILESC=C(NCCOCCOCCOCCO)C(C)CC
InChIInChI=1S/C14H29NO4/c1-4-13(2)14(3)15-5-7-17-9-11-19-12-10-18-8-6-16/h13,15-16H,3-12H2,1-2H3
InChIKeyBPEAEGNMUBAYEC-UHFFFAOYSA-N
XLogP1.18
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.18
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 2-[2-[2-[2-(3-methylpent-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-(3-methylpent-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol (CID 177242706) is 2-[2-[2-[2-(3-methylpent-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-(3-methylpent-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-(3-methylpent-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol is C=C(NCCOCCOCCOCCO)C(C)CC.
What is the InChIKey of 2-[2-[2-[2-(3-methylpent-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is BPEAEGNMUBAYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-4-13(2)14(3)15-5-7-17-9-11-19-12-10-18-8-6-16/h13,15-16H,3-12H2,1-2H3.
What are the key properties of 2-[2-[2-[2-(3-methylpent-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-(3-methylpent-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 275.39 g/mol, XLogP of 1.18, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(3-methylpent-1-en-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 177242706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).