4-(1-methoxypropan-2-yloxy)pentan-2-amine

C9H21NO2 — CID 64718914

IUPAC4-(1-methoxypropan-2-yloxy)pentan-2-amine
SMILESCOCC(C)OC(C)CC(C)N
InChIInChI=1S/C9H21NO2/c1-7(10)5-8(2)12-9(3)6-11-4/h7-9H,5-6,10H2,1-4H3
InChIKeyOORFSOPBFINNQW-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.16
Rot. Bonds6

About 4-(1-methoxypropan-2-yloxy)pentan-2-amine

4-(1-methoxypropan-2-yloxy)pentan-2-amine (PubChem CID 64718914) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-yloxy)pentan-2-amine.

Molecular Properties

Compound Name4-(1-methoxypropan-2-yloxy)pentan-2-amine
PubChem CID64718914
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name4-(1-methoxypropan-2-yloxy)pentan-2-amine
SMILESCOCC(C)OC(C)CC(C)N
InChIInChI=1S/C9H21NO2/c1-7(10)5-8(2)12-9(3)6-11-4/h7-9H,5-6,10H2,1-4H3
InChIKeyOORFSOPBFINNQW-UHFFFAOYSA-N
XLogP1.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-yloxy)pentan-2-amine?
The IUPAC name of 4-(1-methoxypropan-2-yloxy)pentan-2-amine (CID 64718914) is 4-(1-methoxypropan-2-yloxy)pentan-2-amine.
What is the SMILES notation for 4-(1-methoxypropan-2-yloxy)pentan-2-amine?
The canonical SMILES for 4-(1-methoxypropan-2-yloxy)pentan-2-amine is COCC(C)OC(C)CC(C)N.
What is the InChIKey of 4-(1-methoxypropan-2-yloxy)pentan-2-amine?
The InChIKey is OORFSOPBFINNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-7(10)5-8(2)12-9(3)6-11-4/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 4-(1-methoxypropan-2-yloxy)pentan-2-amine?
4-(1-methoxypropan-2-yloxy)pentan-2-amine has a molecular weight of 175.27 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-yloxy)pentan-2-amine is sourced from PubChem (CID 64718914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).