2-[2-(hept-1-en-4-ylamino)ethoxy]ethanol

C11H23NO2 — CID 4712390

IUPAC2-[2-(hept-1-en-4-ylamino)ethoxy]ethanol
SMILESC=CCC(CCC)NCCOCCO
InChIInChI=1S/C11H23NO2/c1-3-5-11(6-4-2)12-7-9-14-10-8-13/h3,11-13H,1,4-10H2,2H3
InChIKeyMTEVGXWMZHGJJB-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.33
Rot. Bonds10

About 2-[2-(hept-1-en-4-ylamino)ethoxy]ethanol

2-[2-(hept-1-en-4-ylamino)ethoxy]ethanol (PubChem CID 4712390) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[2-(hept-1-en-4-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(hept-1-en-4-ylamino)ethoxy]ethanol
PubChem CID4712390
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[2-(hept-1-en-4-ylamino)ethoxy]ethanol
SMILESC=CCC(CCC)NCCOCCO
InChIInChI=1S/C11H23NO2/c1-3-5-11(6-4-2)12-7-9-14-10-8-13/h3,11-13H,1,4-10H2,2H3
InChIKeyMTEVGXWMZHGJJB-UHFFFAOYSA-N
XLogP1.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(Pent-4-enylamino)ethoxy]ethanol
CID 64314440
2-[2-(Hex-1-en-2-ylamino)ethoxy]ethanol
CID 89242009
2-[2-(3-Methylpent-1-en-3-ylamino)ethoxy]ethanol
CID 89804151
1-Methoxy-3-(pent-4-en-2-ylamino)propan-2-ol
CID 116040405
(2R)-1-methoxy-3-[[(2S)-pent-4-en-2-yl]amino]propan-2-ol
CID 130367669
2-[2-(2-Methylhex-5-en-3-ylamino)ethoxy]ethanol
CID 4711917
2-[2-(Dec-1-en-4-ylamino)ethoxy]ethanol
CID 4712393
2-[2-(But-3-enylamino)ethoxy]ethanol
CID 64314439
N-[2-(2-methoxyethoxy)ethyl]pent-4-en-1-amine
CID 64315832
2-[2-(Cyclohex-3-en-1-ylamino)ethoxy]ethanol
CID 65678934
1-(Cyclohex-3-en-1-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 65679765
N-[2-(2-methoxyethoxy)ethyl]cyclohex-3-en-1-amine
CID 65700697

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hept-1-en-4-ylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(hept-1-en-4-ylamino)ethoxy]ethanol (CID 4712390) is 2-[2-(hept-1-en-4-ylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(hept-1-en-4-ylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(hept-1-en-4-ylamino)ethoxy]ethanol is C=CCC(CCC)NCCOCCO.
What is the InChIKey of 2-[2-(hept-1-en-4-ylamino)ethoxy]ethanol?
The InChIKey is MTEVGXWMZHGJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-5-11(6-4-2)12-7-9-14-10-8-13/h3,11-13H,1,4-10H2,2H3.
What are the key properties of 2-[2-(hept-1-en-4-ylamino)ethoxy]ethanol?
2-[2-(hept-1-en-4-ylamino)ethoxy]ethanol has a molecular weight of 201.31 g/mol, XLogP of 1.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hept-1-en-4-ylamino)ethoxy]ethanol is sourced from PubChem (CID 4712390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).