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

C13H29N3O — CID 63285532

IUPACN'-(2-methoxyethyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
SMILESCOCCN(CCCN)CCCN1CCCC1
InChIInChI=1S/C13H29N3O/c1-17-13-12-16(9-4-6-14)11-5-10-15-7-2-3-8-15/h2-14H2,1H3
InChIKeyOHIAFYYZNJDMHB-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.77
Rot. Bonds10

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

N'-(2-methoxyethyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine (PubChem CID 63285532) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
PubChem CID63285532
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN'-(2-methoxyethyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
SMILESCOCCN(CCCN)CCCN1CCCC1
InChIInChI=1S/C13H29N3O/c1-17-13-12-16(9-4-6-14)11-5-10-15-7-2-3-8-15/h2-14H2,1H3
InChIKeyOHIAFYYZNJDMHB-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine (CID 63285532) is N'-(2-methoxyethyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine is COCCN(CCCN)CCCN1CCCC1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine?
The InChIKey is OHIAFYYZNJDMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-17-13-12-16(9-4-6-14)11-5-10-15-7-2-3-8-15/h2-14H2,1H3.
What are the key properties of N'-(2-methoxyethyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine?
N'-(2-methoxyethyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine has a molecular weight of 243.39 g/mol, XLogP of 0.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine is sourced from PubChem (CID 63285532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).