3-amino-3-ethyl-1-propan-2-yloxypentan-2-one

C10H21NO2 — CID 116592635

IUPAC3-amino-3-ethyl-1-propan-2-yloxypentan-2-one
SMILESCCC(N)(CC)C(=O)COC(C)C
InChIInChI=1S/C10H21NO2/c1-5-10(11,6-2)9(12)7-13-8(3)4/h8H,5-7,11H2,1-4H3
InChIKeyZDLORDQXSLBDJX-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.50
Rot. Bonds6

About 3-amino-3-ethyl-1-propan-2-yloxypentan-2-one

3-amino-3-ethyl-1-propan-2-yloxypentan-2-one (PubChem CID 116592635) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-amino-3-ethyl-1-propan-2-yloxypentan-2-one.

Molecular Properties

Compound Name3-amino-3-ethyl-1-propan-2-yloxypentan-2-one
PubChem CID116592635
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-amino-3-ethyl-1-propan-2-yloxypentan-2-one
SMILESCCC(N)(CC)C(=O)COC(C)C
InChIInChI=1S/C10H21NO2/c1-5-10(11,6-2)9(12)7-13-8(3)4/h8H,5-7,11H2,1-4H3
InChIKeyZDLORDQXSLBDJX-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Aminocyclopropyl)-2-methoxyethan-1-one
CID 116576538
2-Amino-2-methyl-4-(2-methyl-3-oxobutan-2-yl)oxypentan-3-one
CID 117842163
1-(4-Aminooxan-4-yl)ethanone;ethane
CID 144882429
3-Amino-3-methyl-1-(2-propoxyethoxy)butan-2-one
CID 156046020
3-Amino-3-methyl-1-(2-methylbutan-2-yloxy)pentan-2-one
CID 163606529
3-Amino-1-ethoxy-3-methylhexan-2-one
CID 116556935
3-Amino-3-methyl-1-propan-2-yloxyhexan-2-one
CID 116556979
3-Amino-1-methoxy-3-methylhexan-2-one
CID 116556984
3-Amino-3-methyl-1-propoxyhexan-2-one
CID 116557092
3-Amino-3-methyl-1-propan-2-yloxybutan-2-one
CID 116560111
3-Amino-3-methyl-1-propoxybutan-2-one
CID 116560208
1-(1-Aminocyclopropyl)-2-ethoxyethan-1-one
CID 116576486

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-ethyl-1-propan-2-yloxypentan-2-one?
The IUPAC name of 3-amino-3-ethyl-1-propan-2-yloxypentan-2-one (CID 116592635) is 3-amino-3-ethyl-1-propan-2-yloxypentan-2-one.
What is the SMILES notation for 3-amino-3-ethyl-1-propan-2-yloxypentan-2-one?
The canonical SMILES for 3-amino-3-ethyl-1-propan-2-yloxypentan-2-one is CCC(N)(CC)C(=O)COC(C)C.
What is the InChIKey of 3-amino-3-ethyl-1-propan-2-yloxypentan-2-one?
The InChIKey is ZDLORDQXSLBDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-10(11,6-2)9(12)7-13-8(3)4/h8H,5-7,11H2,1-4H3.
What are the key properties of 3-amino-3-ethyl-1-propan-2-yloxypentan-2-one?
3-amino-3-ethyl-1-propan-2-yloxypentan-2-one has a molecular weight of 187.28 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-ethyl-1-propan-2-yloxypentan-2-one is sourced from PubChem (CID 116592635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).