N'-(3-fluoropropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C9H21FN2O — CID 81107219

IUPACN'-(3-fluoropropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)CCCF
InChIInChI=1S/C9H21FN2O/c1-12(7-3-4-10)8-5-11-6-9-13-2/h11H,3-9H2,1-2H3
InChIKeyBYOJFZANMGYAKV-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.51
Rot. Bonds9

About N'-(3-fluoropropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N'-(3-fluoropropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 81107219) has the molecular formula C9H21FN2O and a molecular weight of 192.28 g/mol. Its IUPAC name is N'-(3-fluoropropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-fluoropropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID81107219
Molecular FormulaC9H21FN2O
Molecular Weight192.28 g/mol
Exact Mass192.16
IUPAC NameN'-(3-fluoropropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)CCCF
InChIInChI=1S/C9H21FN2O/c1-12(7-3-4-10)8-5-11-6-9-13-2/h11H,3-9H2,1-2H3
InChIKeyBYOJFZANMGYAKV-UHFFFAOYSA-N
XLogP0.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N'-(3-fluoropropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(3-fluoropropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 81107219) is N'-(3-fluoropropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(3-fluoropropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(3-fluoropropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCNCCN(C)CCCF.
What is the InChIKey of N'-(3-fluoropropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is BYOJFZANMGYAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21FN2O/c1-12(7-3-4-10)8-5-11-6-9-13-2/h11H,3-9H2,1-2H3.
What are the key properties of N'-(3-fluoropropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N'-(3-fluoropropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 192.28 g/mol, XLogP of 0.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoropropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 81107219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).