5-amino-1-propan-2-yloxyhexan-2-one

C9H19NO2 — CID 116571607

IUPAC5-amino-1-propan-2-yloxyhexan-2-one
SMILESCC(N)CCC(=O)COC(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)12-6-9(11)5-4-8(3)10/h7-8H,4-6,10H2,1-3H3
InChIKeyRNYDGIBECPDABT-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.11
Rot. Bonds6

About 5-amino-1-propan-2-yloxyhexan-2-one

5-amino-1-propan-2-yloxyhexan-2-one (PubChem CID 116571607) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-amino-1-propan-2-yloxyhexan-2-one.

Molecular Properties

Compound Name5-amino-1-propan-2-yloxyhexan-2-one
PubChem CID116571607
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name5-amino-1-propan-2-yloxyhexan-2-one
SMILESCC(N)CCC(=O)COC(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)12-6-9(11)5-4-8(3)10/h7-8H,4-6,10H2,1-3H3
InChIKeyRNYDGIBECPDABT-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-5-ethoxynonan-4-one
CID 87592166
3-Amino-6-(2-oxopropoxy)hexan-2-one
CID 91129175
5-Aminohexyl 2-oxopropanoate
CID 126636820
Hexyl 5-amino-2-oxopentanoate
CID 140983648
7-Amino-1-propan-2-yloxyheptan-2-one
CID 116549957
5-Amino-1-propan-2-yloxypentan-2-one
CID 116553240
5-Amino-1-propoxypentan-2-one
CID 116553325
3-Amino-1-ethoxyhexan-2-one
CID 116554529
3-Amino-1-propan-2-yloxyhexan-2-one
CID 116554572
3-Amino-1-propoxyhexan-2-one
CID 116554682
3-Amino-1-propan-2-yloxyheptan-2-one
CID 116556675
5-Amino-1-ethoxyhexan-2-one
CID 116571563

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-propan-2-yloxyhexan-2-one?
The IUPAC name of 5-amino-1-propan-2-yloxyhexan-2-one (CID 116571607) is 5-amino-1-propan-2-yloxyhexan-2-one.
What is the SMILES notation for 5-amino-1-propan-2-yloxyhexan-2-one?
The canonical SMILES for 5-amino-1-propan-2-yloxyhexan-2-one is CC(N)CCC(=O)COC(C)C.
What is the InChIKey of 5-amino-1-propan-2-yloxyhexan-2-one?
The InChIKey is RNYDGIBECPDABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)12-6-9(11)5-4-8(3)10/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 5-amino-1-propan-2-yloxyhexan-2-one?
5-amino-1-propan-2-yloxyhexan-2-one has a molecular weight of 173.26 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-propan-2-yloxyhexan-2-one is sourced from PubChem (CID 116571607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).