4-amino-1-propan-2-yloxypentan-2-one

C8H17NO2 — CID 116555847

IUPAC4-amino-1-propan-2-yloxypentan-2-one
SMILESCC(N)CC(=O)COC(C)C
InChIInChI=1S/C8H17NO2/c1-6(2)11-5-8(10)4-7(3)9/h6-7H,4-5,9H2,1-3H3
InChIKeyUGFBYLZIGUVUQA-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.72
Rot. Bonds5

About 4-amino-1-propan-2-yloxypentan-2-one

4-amino-1-propan-2-yloxypentan-2-one (PubChem CID 116555847) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-amino-1-propan-2-yloxypentan-2-one.

Molecular Properties

Compound Name4-amino-1-propan-2-yloxypentan-2-one
PubChem CID116555847
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-amino-1-propan-2-yloxypentan-2-one
SMILESCC(N)CC(=O)COC(C)C
InChIInChI=1S/C8H17NO2/c1-6(2)11-5-8(10)4-7(3)9/h6-7H,4-5,9H2,1-3H3
InChIKeyUGFBYLZIGUVUQA-UHFFFAOYSA-N
XLogP0.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one
CID 116608413
4-ethyl-1-propan-2-yloxyhexan-2-one
CID 105125435
4-(aminomethyl)-1-propan-2-yloxyhexan-2-one
CID 116596211
(4S)-4-amino-1-chloropentan-2-one
CID 174896033
N-(2-aminopropyl)-2-propan-2-yloxyacetamide
CID 112603386
1-(dimethylamino)-3-propan-2-yloxypropan-2-one
CID 79567997
N-(2-aminopropyl)-N-methyl-2-propan-2-yloxyacetamide
CID 112604231
1-methylsulfonyl-3-propan-2-yloxypropan-2-one
CID 115785118
4,4,4-trifluoro-1-propan-2-yloxybutan-2-one
CID 79568383
ethyl 2-propan-2-yloxyacetate
CID 537908
2-amino-7-methyloctan-4-one
CID 116555796
2-aminooctan-4-one
CID 116555826

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propan-2-yloxypentan-2-one?
The IUPAC name of 4-amino-1-propan-2-yloxypentan-2-one (CID 116555847) is 4-amino-1-propan-2-yloxypentan-2-one.
What is the SMILES notation for 4-amino-1-propan-2-yloxypentan-2-one?
The canonical SMILES for 4-amino-1-propan-2-yloxypentan-2-one is CC(N)CC(=O)COC(C)C.
What is the InChIKey of 4-amino-1-propan-2-yloxypentan-2-one?
The InChIKey is UGFBYLZIGUVUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)11-5-8(10)4-7(3)9/h6-7H,4-5,9H2,1-3H3.
What are the key properties of 4-amino-1-propan-2-yloxypentan-2-one?
4-amino-1-propan-2-yloxypentan-2-one has a molecular weight of 159.23 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propan-2-yloxypentan-2-one is sourced from PubChem (CID 116555847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).