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

C9H21FN2O — CID 81107036

IUPACN'-(3-fluoropropyl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)CCCF
InChIInChI=1S/C9H21FN2O/c1-13-9-8-12(6-2-4-10)7-3-5-11/h2-9,11H2,1H3
InChIKeyABSWZDDNGUJMRC-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.64
Rot. Bonds9

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

N'-(3-fluoropropyl)-N'-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 81107036) has the molecular formula C9H21FN2O and a molecular weight of 192.28 g/mol. Its IUPAC name is N'-(3-fluoropropyl)-N'-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-fluoropropyl)-N'-(2-methoxyethyl)propane-1,3-diamine
PubChem CID81107036
Molecular FormulaC9H21FN2O
Molecular Weight192.28 g/mol
Exact Mass192.16
IUPAC NameN'-(3-fluoropropyl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)CCCF
InChIInChI=1S/C9H21FN2O/c1-13-9-8-12(6-2-4-10)7-3-5-11/h2-9,11H2,1H3
InChIKeyABSWZDDNGUJMRC-UHFFFAOYSA-N
XLogP0.64
TPSA38.49 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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoropropyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-(3-fluoropropyl)-N'-(2-methoxyethyl)propane-1,3-diamine (CID 81107036) is N'-(3-fluoropropyl)-N'-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-fluoropropyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-fluoropropyl)-N'-(2-methoxyethyl)propane-1,3-diamine is COCCN(CCCN)CCCF.
What is the InChIKey of N'-(3-fluoropropyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is ABSWZDDNGUJMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21FN2O/c1-13-9-8-12(6-2-4-10)7-3-5-11/h2-9,11H2,1H3.
What are the key properties of N'-(3-fluoropropyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
N'-(3-fluoropropyl)-N'-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 192.28 g/mol, XLogP of 0.64, 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)propane-1,3-diamine is sourced from PubChem (CID 81107036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).