2-(2-aminopropoxy)pentan-3-amine

C8H20N2O — CID 22385522

IUPAC2-(2-aminopropoxy)pentan-3-amine
SMILESCCC(N)C(C)OCC(C)N
InChIInChI=1S/C8H20N2O/c1-4-8(10)7(3)11-5-6(2)9/h6-8H,4-5,9-10H2,1-3H3
InChIKeyQIXUNLGUNNUKGI-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.48
Rot. Bonds5

About 2-(2-aminopropoxy)pentan-3-amine

2-(2-aminopropoxy)pentan-3-amine (PubChem CID 22385522) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-(2-aminopropoxy)pentan-3-amine.

Molecular Properties

Compound Name2-(2-aminopropoxy)pentan-3-amine
PubChem CID22385522
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name2-(2-aminopropoxy)pentan-3-amine
SMILESCCC(N)C(C)OCC(C)N
InChIInChI=1S/C8H20N2O/c1-4-8(10)7(3)11-5-6(2)9/h6-8H,4-5,9-10H2,1-3H3
InChIKeyQIXUNLGUNNUKGI-UHFFFAOYSA-N
XLogP0.48
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropoxy)pentan-3-amine?
The IUPAC name of 2-(2-aminopropoxy)pentan-3-amine (CID 22385522) is 2-(2-aminopropoxy)pentan-3-amine.
What is the SMILES notation for 2-(2-aminopropoxy)pentan-3-amine?
The canonical SMILES for 2-(2-aminopropoxy)pentan-3-amine is CCC(N)C(C)OCC(C)N.
What is the InChIKey of 2-(2-aminopropoxy)pentan-3-amine?
The InChIKey is QIXUNLGUNNUKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-4-8(10)7(3)11-5-6(2)9/h6-8H,4-5,9-10H2,1-3H3.
What are the key properties of 2-(2-aminopropoxy)pentan-3-amine?
2-(2-aminopropoxy)pentan-3-amine has a molecular weight of 160.26 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropoxy)pentan-3-amine is sourced from PubChem (CID 22385522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).