5-(butan-2-ylamino)-3-methylpentan-2-one

C10H21NO — CID 118155118

IUPAC5-(butan-2-ylamino)-3-methylpentan-2-one
SMILESCCC(C)NCCC(C)C(C)=O
InChIInChI=1S/C10H21NO/c1-5-9(3)11-7-6-8(2)10(4)12/h8-9,11H,5-7H2,1-4H3
InChIKeyKVIJOHXVAZRWGI-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.99
Rot. Bonds6

About 5-(butan-2-ylamino)-3-methylpentan-2-one

5-(butan-2-ylamino)-3-methylpentan-2-one (PubChem CID 118155118) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-3-methylpentan-2-one.

Molecular Properties

Compound Name5-(butan-2-ylamino)-3-methylpentan-2-one
PubChem CID118155118
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-(butan-2-ylamino)-3-methylpentan-2-one
SMILESCCC(C)NCCC(C)C(C)=O
InChIInChI=1S/C10H21NO/c1-5-9(3)11-7-6-8(2)10(4)12/h8-9,11H,5-7H2,1-4H3
InChIKeyKVIJOHXVAZRWGI-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

(2S)-4-(butan-2-ylamino)butan-2-ol
CID 130638354
N-butan-2-yl-3-methylbutan-1-amine;ethane
CID 142990947
3-methylbutan-2-one;3-methylpentan-2-one
CID 159429251
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
2-[(3-methyl-4-oxopentyl)amino]acetic acid
CID 175017572
(2S)-4-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836312
N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990
CID 172753617
CID 172753617
(3R)-3-methyloctan-2-one
CID 158725350
2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide
CID 28565761
N-(5-methyl-6-oxoheptyl)propanamide
CID 76588295
(2S)-2-amino-4-[[(1S)-1-carboxy-3-[[(1S)-1-carboxypropyl]amino]propyl]amino]butanoic acid
CID 87413291

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-3-methylpentan-2-one?
The IUPAC name of 5-(butan-2-ylamino)-3-methylpentan-2-one (CID 118155118) is 5-(butan-2-ylamino)-3-methylpentan-2-one.
What is the SMILES notation for 5-(butan-2-ylamino)-3-methylpentan-2-one?
The canonical SMILES for 5-(butan-2-ylamino)-3-methylpentan-2-one is CCC(C)NCCC(C)C(C)=O.
What is the InChIKey of 5-(butan-2-ylamino)-3-methylpentan-2-one?
The InChIKey is KVIJOHXVAZRWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-9(3)11-7-6-8(2)10(4)12/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 5-(butan-2-ylamino)-3-methylpentan-2-one?
5-(butan-2-ylamino)-3-methylpentan-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 5-(butan-2-ylamino)-3-methylpentan-2-one is sourced from PubChem (CID 118155118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).