4-[1-(3-aminobutoxy)ethoxy]butan-2-amine

C10H24N2O2 — CID 88529925

IUPAC4-[1-(3-aminobutoxy)ethoxy]butan-2-amine
SMILESCC(N)CCOC(C)OCCC(C)N
InChIInChI=1S/C10H24N2O2/c1-8(11)4-6-13-10(3)14-7-5-9(2)12/h8-10H,4-7,11-12H2,1-3H3
InChIKeyZYHANZQMYKFTRS-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.84
Rot. Bonds8

About 4-[1-(3-aminobutoxy)ethoxy]butan-2-amine

4-[1-(3-aminobutoxy)ethoxy]butan-2-amine (PubChem CID 88529925) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-[1-(3-aminobutoxy)ethoxy]butan-2-amine.

Molecular Properties

Compound Name4-[1-(3-aminobutoxy)ethoxy]butan-2-amine
PubChem CID88529925
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name4-[1-(3-aminobutoxy)ethoxy]butan-2-amine
SMILESCC(N)CCOC(C)OCCC(C)N
InChIInChI=1S/C10H24N2O2/c1-8(11)4-6-13-10(3)14-7-5-9(2)12/h8-10H,4-7,11-12H2,1-3H3
InChIKeyZYHANZQMYKFTRS-UHFFFAOYSA-N
XLogP0.84
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-aminobutoxy)ethoxy]butan-2-amine?
The IUPAC name of 4-[1-(3-aminobutoxy)ethoxy]butan-2-amine (CID 88529925) is 4-[1-(3-aminobutoxy)ethoxy]butan-2-amine.
What is the SMILES notation for 4-[1-(3-aminobutoxy)ethoxy]butan-2-amine?
The canonical SMILES for 4-[1-(3-aminobutoxy)ethoxy]butan-2-amine is CC(N)CCOC(C)OCCC(C)N.
What is the InChIKey of 4-[1-(3-aminobutoxy)ethoxy]butan-2-amine?
The InChIKey is ZYHANZQMYKFTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-8(11)4-6-13-10(3)14-7-5-9(2)12/h8-10H,4-7,11-12H2,1-3H3.
What are the key properties of 4-[1-(3-aminobutoxy)ethoxy]butan-2-amine?
4-[1-(3-aminobutoxy)ethoxy]butan-2-amine has a molecular weight of 204.31 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-aminobutoxy)ethoxy]butan-2-amine is sourced from PubChem (CID 88529925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).