(2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one

C13H25NO — CID 71037152

IUPAC(2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one
SMILESCCN[C@@H](CC1(CC)CCC1)C(=O)CC
InChIInChI=1S/C13H25NO/c1-4-12(15)11(14-6-3)10-13(5-2)8-7-9-13/h11,14H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyRNRBPAUDZSXPHC-NSHDSACASA-N
MW211.35 g/mol
LogP2.91
Rot. Bonds7

About (2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one

(2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one (PubChem CID 71037152) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one.

Molecular Properties

Compound Name(2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one
PubChem CID71037152
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one
SMILESCCN[C@@H](CC1(CC)CCC1)C(=O)CC
InChIInChI=1S/C13H25NO/c1-4-12(15)11(14-6-3)10-13(5-2)8-7-9-13/h11,14H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyRNRBPAUDZSXPHC-NSHDSACASA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)hexan-3-one
CID 91533412
1-(4,4-dimethylcyclohexyl)-2-(ethylamino)pentan-3-one
CID 71154495
2-(ethylamino)-1-piperidin-1-ylpentan-3-one
CID 71154517
1-(1-ethylcyclobutyl)propan-2-ol
CID 126985384
2-(ethylamino)-1-ethylsulfonylpentan-3-one
CID 89317453
methyl 2-[(1-ethylcyclobutyl)methylamino]butanoate
CID 107302654
2-(ethylamino)-3-oxopentane-1-sulfonic acid
CID 167068949
ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one
CID 142227947
2-(ethylamino)-1-(3,4,4,5-tetramethylcyclohexyl)pentan-3-one
CID 71154728
ethane;4-(ethylamino)-5-oxoheptanamide
CID 176556376
8-amino-4-(ethylamino)octan-3-one
CID 20755672
N-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 103810906

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one?
The IUPAC name of (2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one (CID 71037152) is (2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one.
What is the SMILES notation for (2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one?
The canonical SMILES for (2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one is CCN[C@@H](CC1(CC)CCC1)C(=O)CC.
What is the InChIKey of (2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one?
The InChIKey is RNRBPAUDZSXPHC-NSHDSACASA-N. The full InChI is InChI=1S/C13H25NO/c1-4-12(15)11(14-6-3)10-13(5-2)8-7-9-13/h11,14H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one?
(2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one has a molecular weight of 211.35 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylamino)-1-(1-ethylcyclobutyl)pentan-3-one is sourced from PubChem (CID 71037152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).