3-ethyl-1-(propan-2-ylamino)pentan-2-one

C10H21NO — CID 116554985

IUPAC3-ethyl-1-(propan-2-ylamino)pentan-2-one
SMILESCCC(CC)C(=O)CNC(C)C
InChIInChI=1S/C10H21NO/c1-5-9(6-2)10(12)7-11-8(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyAJGULABDOMLCIM-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.99
Rot. Bonds6

About 3-ethyl-1-(propan-2-ylamino)pentan-2-one

3-ethyl-1-(propan-2-ylamino)pentan-2-one (PubChem CID 116554985) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-ethyl-1-(propan-2-ylamino)pentan-2-one.

Molecular Properties

Compound Name3-ethyl-1-(propan-2-ylamino)pentan-2-one
PubChem CID116554985
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-ethyl-1-(propan-2-ylamino)pentan-2-one
SMILESCCC(CC)C(=O)CNC(C)C
InChIInChI=1S/C10H21NO/c1-5-9(6-2)10(12)7-11-8(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyAJGULABDOMLCIM-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(ethylamino)pentan-2-one
CID 116562665
ethane;1-(propan-2-ylamino)butan-2-one
CID 176992456
3-ethyl-1-(prop-2-ynylamino)pentan-2-one
CID 116589606
[2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate
CID 174576653
N-ethylsulfonyl-2-(propan-2-ylamino)acetamide
CID 103306965
3-ethyl-6-methyloct-6-en-4-one
CID 173461598
bis(4-ethyl-3-oxohexanoate);titanium(2+);dihydrate
CID 174056895
amino 2-(propan-2-ylamino)acetate
CID 118670868
3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]pentanoic acid
CID 61157730
N-methyl-2-(propan-2-ylamino)-N-propylacetamide
CID 60843587
ethane;propyl 2-(propan-2-ylamino)acetate
CID 158517744
bis(4-ethyl-3-oxohexanoate);bis(2-methylpropan-1-ol);titanium(2+)
CID 175750840

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(propan-2-ylamino)pentan-2-one?
The IUPAC name of 3-ethyl-1-(propan-2-ylamino)pentan-2-one (CID 116554985) is 3-ethyl-1-(propan-2-ylamino)pentan-2-one.
What is the SMILES notation for 3-ethyl-1-(propan-2-ylamino)pentan-2-one?
The canonical SMILES for 3-ethyl-1-(propan-2-ylamino)pentan-2-one is CCC(CC)C(=O)CNC(C)C.
What is the InChIKey of 3-ethyl-1-(propan-2-ylamino)pentan-2-one?
The InChIKey is AJGULABDOMLCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-9(6-2)10(12)7-11-8(3)4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-1-(propan-2-ylamino)pentan-2-one?
3-ethyl-1-(propan-2-ylamino)pentan-2-one has a molecular weight of 171.28 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(propan-2-ylamino)pentan-2-one is sourced from PubChem (CID 116554985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).