(2S)-2-(tert-butylamino)-4-methyl-1-(1-methylcyclobutyl)pentan-3-one;molecular hydrogen

C15H31NO — CID 143391289

IUPAC(2S)-2-(tert-butylamino)-4-methyl-1-(1-methylcyclobutyl)pentan-3-one;molecular hydrogen
SMILESCC(C)C(=O)[C@H](CC1(C)CCC1)NC(C)(C)C.[H][H]
InChIInChI=1S/C15H29NO.H2/c1-11(2)13(17)12(16-14(3,4)5)10-15(6)8-7-9-15;/h11-12,16H,7-10H2,1-6H3;1H/t12-;/m0./s1
InChIKeyKGXKWVNTOYUOLJ-YDALLXLXSA-N
MW241.42 g/mol
LogP3.79
Rot. Bonds5

About (2S)-2-(tert-butylamino)-4-methyl-1-(1-methylcyclobutyl)pentan-3-one;molecular hydrogen

(2S)-2-(tert-butylamino)-4-methyl-1-(1-methylcyclobutyl)pentan-3-one;molecular hydrogen (PubChem CID 143391289) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is (2S)-2-(tert-butylamino)-4-methyl-1-(1-methylcyclobutyl)pentan-3-one;molecular hydrogen.

Molecular Properties

Compound Name(2S)-2-(tert-butylamino)-4-methyl-1-(1-methylcyclobutyl)pentan-3-one;molecular hydrogen
PubChem CID143391289
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name(2S)-2-(tert-butylamino)-4-methyl-1-(1-methylcyclobutyl)pentan-3-one;molecular hydrogen
SMILESCC(C)C(=O)[C@H](CC1(C)CCC1)NC(C)(C)C.[H][H]
InChIInChI=1S/C15H29NO.H2/c1-11(2)13(17)12(16-14(3,4)5)10-15(6)8-7-9-15;/h11-12,16H,7-10H2,1-6H3;1H/t12-;/m0./s1
InChIKeyKGXKWVNTOYUOLJ-YDALLXLXSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid
CID 174649408
(4S)-8-amino-4-(tert-butylamino)-2-methyloctan-3-one
CID 177276653
2-(methylamino)-3-(1-methylcyclopentyl)propanoic acid
CID 67554583
methyl 4-(tert-butylamino)-6-methyl-5-oxoheptanoate
CID 143900912
2-(tert-butylamino)-4-methylpentan-3-one
CID 134376563
2-methyl-N-[(1-methylcyclobutyl)methyl]propanamide
CID 103737357
ethane;2-(methylamino)-1-(1-methylcyclohexyl)pentan-3-one
CID 142227947
methyl (2S)-2-amino-3-(1-methylcyclopentyl)propanoate
CID 58564877
2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid
CID 63821690
lithium;2-(diethylcarbamoylamino)-3-(1-methylcyclopentyl)propanoic acid;hydride
CID 173484127
tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen
CID 178159968
tert-butyl acetate;4-methyl-2-[(1-methylcyclobutyl)methyl]hexanoic acid
CID 177059780

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylamino)-4-methyl-1-(1-methylcyclobutyl)pentan-3-one;molecular hydrogen?
The IUPAC name of (2S)-2-(tert-butylamino)-4-methyl-1-(1-methylcyclobutyl)pentan-3-one;molecular hydrogen (CID 143391289) is (2S)-2-(tert-butylamino)-4-methyl-1-(1-methylcyclobutyl)pentan-3-one;molecular hydrogen.
What is the SMILES notation for (2S)-2-(tert-butylamino)-4-methyl-1-(1-methylcyclobutyl)pentan-3-one;molecular hydrogen?
The canonical SMILES for (2S)-2-(tert-butylamino)-4-methyl-1-(1-methylcyclobutyl)pentan-3-one;molecular hydrogen is CC(C)C(=O)[C@H](CC1(C)CCC1)NC(C)(C)C.[H][H].
What is the InChIKey of (2S)-2-(tert-butylamino)-4-methyl-1-(1-methylcyclobutyl)pentan-3-one;molecular hydrogen?
The InChIKey is KGXKWVNTOYUOLJ-YDALLXLXSA-N. The full InChI is InChI=1S/C15H29NO.H2/c1-11(2)13(17)12(16-14(3,4)5)10-15(6)8-7-9-15;/h11-12,16H,7-10H2,1-6H3;1H/t12-;/m0./s1.
What are the key properties of (2S)-2-(tert-butylamino)-4-methyl-1-(1-methylcyclobutyl)pentan-3-one;molecular hydrogen?
(2S)-2-(tert-butylamino)-4-methyl-1-(1-methylcyclobutyl)pentan-3-one;molecular hydrogen has a molecular weight of 241.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylamino)-4-methyl-1-(1-methylcyclobutyl)pentan-3-one;molecular hydrogen is sourced from PubChem (CID 143391289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).