2-(2-dodecan-2-yloxyprop-2-enylamino)ethanol

C17H35NO2 — CID 87295195

IUPAC2-(2-dodecan-2-yloxyprop-2-enylamino)ethanol
SMILESC=C(CNCCO)OC(C)CCCCCCCCCC
InChIInChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-11-12-16(2)20-17(3)15-18-13-14-19/h16,18-19H,3-15H2,1-2H3
InChIKeyDEJZSNSCFCJRBN-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.02
Rot. Bonds15

About 2-(2-dodecan-2-yloxyprop-2-enylamino)ethanol

2-(2-dodecan-2-yloxyprop-2-enylamino)ethanol (PubChem CID 87295195) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 2-(2-dodecan-2-yloxyprop-2-enylamino)ethanol.

Molecular Properties

Compound Name2-(2-dodecan-2-yloxyprop-2-enylamino)ethanol
PubChem CID87295195
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name2-(2-dodecan-2-yloxyprop-2-enylamino)ethanol
SMILESC=C(CNCCO)OC(C)CCCCCCCCCC
InChIInChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-11-12-16(2)20-17(3)15-18-13-14-19/h16,18-19H,3-15H2,1-2H3
InChIKeyDEJZSNSCFCJRBN-UHFFFAOYSA-N
XLogP4.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-dodecan-2-yloxyprop-2-enylamino)ethanol?
The IUPAC name of 2-(2-dodecan-2-yloxyprop-2-enylamino)ethanol (CID 87295195) is 2-(2-dodecan-2-yloxyprop-2-enylamino)ethanol.
What is the SMILES notation for 2-(2-dodecan-2-yloxyprop-2-enylamino)ethanol?
The canonical SMILES for 2-(2-dodecan-2-yloxyprop-2-enylamino)ethanol is C=C(CNCCO)OC(C)CCCCCCCCCC.
What is the InChIKey of 2-(2-dodecan-2-yloxyprop-2-enylamino)ethanol?
The InChIKey is DEJZSNSCFCJRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-11-12-16(2)20-17(3)15-18-13-14-19/h16,18-19H,3-15H2,1-2H3.
What are the key properties of 2-(2-dodecan-2-yloxyprop-2-enylamino)ethanol?
2-(2-dodecan-2-yloxyprop-2-enylamino)ethanol has a molecular weight of 285.47 g/mol, XLogP of 4.02, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecan-2-yloxyprop-2-enylamino)ethanol is sourced from PubChem (CID 87295195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).