4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylpentan-2-amine

C14H32N2O2 — CID 89135225

IUPAC4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylpentan-2-amine
SMILESCC(N)COC(C)(C)CCOC(C)(C)CC(C)N
InChIInChI=1S/C14H32N2O2/c1-11(15)9-14(5,6)17-8-7-13(3,4)18-10-12(2)16/h11-12H,7-10,15-16H2,1-6H3
InChIKeyWIOXBQFVZHGLRD-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.05
Rot. Bonds9

About 4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylpentan-2-amine

4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylpentan-2-amine (PubChem CID 89135225) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylpentan-2-amine.

Molecular Properties

Compound Name4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylpentan-2-amine
PubChem CID89135225
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Name4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylpentan-2-amine
SMILESCC(N)COC(C)(C)CCOC(C)(C)CC(C)N
InChIInChI=1S/C14H32N2O2/c1-11(15)9-14(5,6)17-8-7-13(3,4)18-10-12(2)16/h11-12H,7-10,15-16H2,1-6H3
InChIKeyWIOXBQFVZHGLRD-UHFFFAOYSA-N
XLogP2.05
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylpentan-2-amine?
The IUPAC name of 4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylpentan-2-amine (CID 89135225) is 4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylpentan-2-amine.
What is the SMILES notation for 4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylpentan-2-amine?
The canonical SMILES for 4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylpentan-2-amine is CC(N)COC(C)(C)CCOC(C)(C)CC(C)N.
What is the InChIKey of 4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylpentan-2-amine?
The InChIKey is WIOXBQFVZHGLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2/c1-11(15)9-14(5,6)17-8-7-13(3,4)18-10-12(2)16/h11-12H,7-10,15-16H2,1-6H3.
What are the key properties of 4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylpentan-2-amine?
4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylpentan-2-amine has a molecular weight of 260.42 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylpentan-2-amine is sourced from PubChem (CID 89135225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).