N-but-1-en-2-yl-4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutan-1-amine

C16H33FN2O3 — CID 156795222

IUPACN-but-1-en-2-yl-4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutan-1-amine
SMILESC=C(CC)NCC(F)CCOCCOCCOCCNCC
InChIInChI=1S/C16H33FN2O3/c1-4-15(3)19-14-16(17)6-8-20-10-12-22-13-11-21-9-7-18-5-2/h16,18-19H,3-14H2,1-2H3
InChIKeyGTDOESPKPYNIAC-UHFFFAOYSA-N
MW320.45 g/mol
LogP1.89
Rot. Bonds17

About N-but-1-en-2-yl-4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutan-1-amine

N-but-1-en-2-yl-4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutan-1-amine (PubChem CID 156795222) has the molecular formula C16H33FN2O3 and a molecular weight of 320.45 g/mol. Its IUPAC name is N-but-1-en-2-yl-4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutan-1-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutan-1-amine
PubChem CID156795222
Molecular FormulaC16H33FN2O3
Molecular Weight320.45 g/mol
Exact Mass320.25
IUPAC NameN-but-1-en-2-yl-4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutan-1-amine
SMILESC=C(CC)NCC(F)CCOCCOCCOCCNCC
InChIInChI=1S/C16H33FN2O3/c1-4-15(3)19-14-16(17)6-8-20-10-12-22-13-11-21-9-7-18-5-2/h16,18-19H,3-14H2,1-2H3
InChIKeyGTDOESPKPYNIAC-UHFFFAOYSA-N
XLogP1.89
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 51.89
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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Related Compounds

N-[2-fluoro-4-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-3-methylbut-1-en-2-amine
CID 168259077
N-[4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-3-methylbut-1-en-2-amine
CID 169811455
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-3-methylbut-1-en-2-amine
CID 168259441
3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine
CID 142615709
3-methyl-N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]but-1-en-2-amine
CID 155455125
ethane;3-methyl-N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]but-1-en-2-amine
CID 155750918
N-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane
CID 156795257
ethane;N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-3-methylbut-1-en-2-amine;molecular hydrogen
CID 168259440
N-[2-(2-propoxyethoxy)ethyl]but-1-en-2-amine
CID 170639915
N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]but-1-en-2-amine
CID 172597926
N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine
CID 175632336

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutan-1-amine?
The IUPAC name of N-but-1-en-2-yl-4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutan-1-amine (CID 156795222) is N-but-1-en-2-yl-4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutan-1-amine.
What is the SMILES notation for N-but-1-en-2-yl-4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutan-1-amine?
The canonical SMILES for N-but-1-en-2-yl-4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutan-1-amine is C=C(CC)NCC(F)CCOCCOCCOCCNCC.
What is the InChIKey of N-but-1-en-2-yl-4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutan-1-amine?
The InChIKey is GTDOESPKPYNIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33FN2O3/c1-4-15(3)19-14-16(17)6-8-20-10-12-22-13-11-21-9-7-18-5-2/h16,18-19H,3-14H2,1-2H3.
What are the key properties of N-but-1-en-2-yl-4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutan-1-amine?
N-but-1-en-2-yl-4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutan-1-amine has a molecular weight of 320.45 g/mol, XLogP of 1.89, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutan-1-amine is sourced from PubChem (CID 156795222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).