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

C9H21FN2O — CID 81105235

IUPACN-(3-fluoropropyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNCCCF
InChIInChI=1S/C9H21FN2O/c1-12(8-9-13-2)7-6-11-5-3-4-10/h11H,3-9H2,1-2H3
InChIKeyKAQOUNIXWGMAMA-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 81105235) 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 CID81105235
Molecular FormulaC9H21FN2O
Molecular Weight192.28 g/mol
Exact Mass192.16
IUPAC NameN-(3-fluoropropyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNCCCF
InChIInChI=1S/C9H21FN2O/c1-12(8-9-13-2)7-6-11-5-3-4-10/h11H,3-9H2,1-2H3
InChIKeyKAQOUNIXWGMAMA-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 81105235) 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 COCCN(C)CCNCCCF.
What is the InChIKey of N-(3-fluoropropyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is KAQOUNIXWGMAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21FN2O/c1-12(8-9-13-2)7-6-11-5-3-4-10/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 81105235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).