1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one

C11H23NO — CID 89032532

IUPAC1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one
SMILESCCNCC(C)(C)C(=O)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-7-12-8-11(5,6)9(13)10(2,3)4/h12H,7-8H2,1-6H3
InChIKeyMWGPBDNVWNTWDA-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.24
Rot. Bonds4

About 1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one

1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one (PubChem CID 89032532) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one.

Molecular Properties

Compound Name1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one
PubChem CID89032532
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one
SMILESCCNCC(C)(C)C(=O)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-7-12-8-11(5,6)9(13)10(2,3)4/h12H,7-8H2,1-6H3
InChIKeyMWGPBDNVWNTWDA-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-2,2,4,4-tetramethylpentan-3-one
CID 13238886
1-(ethylamino)-2,3,3-trimethylbutan-2-ol
CID 80559205
ethane;N-ethyl-2,2-dimethylpropanamide
CID 142466715
3-ethyl-3,5,5-trimethylhexane-2,4-dione
CID 19371313
1-(ethylamino)-2-methylpropane-2-thiol
CID 13049084
2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol
CID 62773195
(2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 146248092
3,3,5,5-tetramethylheptan-4-one
CID 18520351
CID 158035989
CID 158035989
2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65106281
3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid
CID 79623675
1-(ethylamino)-2,5,5-trimethylhexan-2-ol
CID 66039846

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one?
The IUPAC name of 1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one (CID 89032532) is 1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one.
What is the SMILES notation for 1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one?
The canonical SMILES for 1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one is CCNCC(C)(C)C(=O)C(C)(C)C.
What is the InChIKey of 1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one?
The InChIKey is MWGPBDNVWNTWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-7-12-8-11(5,6)9(13)10(2,3)4/h12H,7-8H2,1-6H3.
What are the key properties of 1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one?
1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one has a molecular weight of 185.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one is sourced from PubChem (CID 89032532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).