1-[2-(cyclohexen-1-yl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol

C15H29NO3 — CID 60634286

IUPAC1-[2-(cyclohexen-1-yl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNCCC1=CCCCC1
InChIInChI=1S/C15H29NO3/c1-2-18-10-11-19-13-15(17)12-16-9-8-14-6-4-3-5-7-14/h6,15-17H,2-5,7-13H2,1H3
InChIKeyOFTHXXATHBZZSY-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.88
Rot. Bonds11

About 1-[2-(cyclohexen-1-yl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol

1-[2-(cyclohexen-1-yl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol (PubChem CID 60634286) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
PubChem CID60634286
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name1-[2-(cyclohexen-1-yl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNCCC1=CCCCC1
InChIInChI=1S/C15H29NO3/c1-2-18-10-11-19-13-15(17)12-16-9-8-14-6-4-3-5-7-14/h6,15-17H,2-5,7-13H2,1H3
InChIKeyOFTHXXATHBZZSY-UHFFFAOYSA-N
XLogP1.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol (CID 60634286) is 1-[2-(cyclohexen-1-yl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol is CCOCCOCC(O)CNCCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol?
The InChIKey is OFTHXXATHBZZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-2-18-10-11-19-13-15(17)12-16-9-8-14-6-4-3-5-7-14/h6,15-17H,2-5,7-13H2,1H3.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol?
1-[2-(cyclohexen-1-yl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol has a molecular weight of 271.40 g/mol, XLogP of 1.88, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol is sourced from PubChem (CID 60634286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).