3-(ethylaminomethyl)pentan-2-one

C8H17NO — CID 143094053

IUPAC3-(ethylaminomethyl)pentan-2-one
SMILESCCNCC(CC)C(C)=O
InChIInChI=1S/C8H17NO/c1-4-8(7(3)10)6-9-5-2/h8-9H,4-6H2,1-3H3
InChIKeyVFILUBRDKAWRFD-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.21
Rot. Bonds5

About 3-(ethylaminomethyl)pentan-2-one

3-(ethylaminomethyl)pentan-2-one (PubChem CID 143094053) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-(ethylaminomethyl)pentan-2-one.

Molecular Properties

Compound Name3-(ethylaminomethyl)pentan-2-one
PubChem CID143094053
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-(ethylaminomethyl)pentan-2-one
SMILESCCNCC(CC)C(C)=O
InChIInChI=1S/C8H17NO/c1-4-8(7(3)10)6-9-5-2/h8-9H,4-6H2,1-3H3
InChIKeyVFILUBRDKAWRFD-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(hydroxyamino)methyl]pentan-2-one
CID 141217416
3-ethyl-1-(ethylamino)pentan-2-one
CID 116562665
3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 62853402
3-ethyl-4-oxopentanehydrazide
CID 160685877
3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586
ethane;3-ethyl-5-methylhexan-2-one
CID 143623383
3-ethyl-5-fluoropentan-2-one
CID 80696730
3-(ethylamino)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 106188154
N-[(5S)-5-ethyl-6-oxoheptyl]formamide
CID 159837872
3-(ethylamino)-2-methoxypropanamide
CID 91150979
3-ethylhex-5-en-2-one
CID 58995117
sodium 3-ethyl-4-oxopentanoate
CID 158418112

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)pentan-2-one?
The IUPAC name of 3-(ethylaminomethyl)pentan-2-one (CID 143094053) is 3-(ethylaminomethyl)pentan-2-one.
What is the SMILES notation for 3-(ethylaminomethyl)pentan-2-one?
The canonical SMILES for 3-(ethylaminomethyl)pentan-2-one is CCNCC(CC)C(C)=O.
What is the InChIKey of 3-(ethylaminomethyl)pentan-2-one?
The InChIKey is VFILUBRDKAWRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-8(7(3)10)6-9-5-2/h8-9H,4-6H2,1-3H3.
What are the key properties of 3-(ethylaminomethyl)pentan-2-one?
3-(ethylaminomethyl)pentan-2-one has a molecular weight of 143.23 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)pentan-2-one is sourced from PubChem (CID 143094053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).