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

C15H34N2O2 — CID 87171417

IUPAC4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylhexan-2-amine
SMILESCCC(C)(CC(C)N)OCCC(C)(C)OCC(C)N
InChIInChI=1S/C15H34N2O2/c1-7-15(6,10-12(2)16)18-9-8-14(4,5)19-11-13(3)17/h12-13H,7-11,16-17H2,1-6H3
InChIKeyRXAGUJNPXAXEAC-UHFFFAOYSA-N
MW274.45 g/mol
LogP2.44
Rot. Bonds10

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

4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylhexan-2-amine (PubChem CID 87171417) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylhexan-2-amine.

Molecular Properties

Compound Name4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylhexan-2-amine
PubChem CID87171417
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Name4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylhexan-2-amine
SMILESCCC(C)(CC(C)N)OCCC(C)(C)OCC(C)N
InChIInChI=1S/C15H34N2O2/c1-7-15(6,10-12(2)16)18-9-8-14(4,5)19-11-13(3)17/h12-13H,7-11,16-17H2,1-6H3
InChIKeyRXAGUJNPXAXEAC-UHFFFAOYSA-N
XLogP2.44
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 52.44
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-methylhexan-2-amine?
The IUPAC name of 4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylhexan-2-amine (CID 87171417) is 4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylhexan-2-amine.
What is the SMILES notation for 4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylhexan-2-amine?
The canonical SMILES for 4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylhexan-2-amine is CCC(C)(CC(C)N)OCCC(C)(C)OCC(C)N.
What is the InChIKey of 4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylhexan-2-amine?
The InChIKey is RXAGUJNPXAXEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2/c1-7-15(6,10-12(2)16)18-9-8-14(4,5)19-11-13(3)17/h12-13H,7-11,16-17H2,1-6H3.
What are the key properties of 4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylhexan-2-amine?
4-[3-(2-aminopropoxy)-3-methylbutoxy]-4-methylhexan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 2.44, 10 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-methylhexan-2-amine is sourced from PubChem (CID 87171417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).