(4R)-4-(tert-butylamino)-6-methylheptan-3-one

C12H25NO — CID 88965299

IUPAC(4R)-4-(tert-butylamino)-6-methylheptan-3-one
SMILESCCC(=O)[C@@H](CC(C)C)NC(C)(C)C
InChIInChI=1S/C12H25NO/c1-7-11(14)10(8-9(2)3)13-12(4,5)6/h9-10,13H,7-8H2,1-6H3/t10-/m1/s1
InChIKeyVHUZEUHYRSTLCD-SNVBAGLBSA-N
MW199.34 g/mol
LogP2.77
Rot. Bonds5

About (4R)-4-(tert-butylamino)-6-methylheptan-3-one

(4R)-4-(tert-butylamino)-6-methylheptan-3-one (PubChem CID 88965299) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (4R)-4-(tert-butylamino)-6-methylheptan-3-one.

Molecular Properties

Compound Name(4R)-4-(tert-butylamino)-6-methylheptan-3-one
PubChem CID88965299
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(4R)-4-(tert-butylamino)-6-methylheptan-3-one
SMILESCCC(=O)[C@@H](CC(C)C)NC(C)(C)C
InChIInChI=1S/C12H25NO/c1-7-11(14)10(8-9(2)3)13-12(4,5)6/h9-10,13H,7-8H2,1-6H3/t10-/m1/s1
InChIKeyVHUZEUHYRSTLCD-SNVBAGLBSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(tert-butylamino)-1-hydroxypentan-3-one
CID 89135586
3-(tert-butylamino)-4-oxohexanamide
CID 89253656
tert-butyl N-(2-methyl-5-oxoheptan-4-yl)carbamate
CID 123558492
3-(tert-butylamino)pentan-2-one
CID 123205051
3-(tert-butylamino)-1-propan-2-yloxypentan-2-one
CID 134460862
5,5-dimethyl-4-propan-2-ylhexan-3-one
CID 58124172
4-(ethylamino)hexan-3-one
CID 91533412
2-(tert-butylamino)-1-(3-chlorophenyl)-4-methylpentan-1-one
CID 44542657
2-formamido-N-(2-methyl-5-oxoheptan-4-yl)-4-methylsulfanylbutanamide
CID 123955651
2-(tert-butylamino)-4-methylpentan-1-ol
CID 20608688
4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one
CID 166719655
tert-butyl 2-(ethylamino)-4-methylpentanoate
CID 142936593

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(tert-butylamino)-6-methylheptan-3-one?
The IUPAC name of (4R)-4-(tert-butylamino)-6-methylheptan-3-one (CID 88965299) is (4R)-4-(tert-butylamino)-6-methylheptan-3-one.
What is the SMILES notation for (4R)-4-(tert-butylamino)-6-methylheptan-3-one?
The canonical SMILES for (4R)-4-(tert-butylamino)-6-methylheptan-3-one is CCC(=O)[C@@H](CC(C)C)NC(C)(C)C.
What is the InChIKey of (4R)-4-(tert-butylamino)-6-methylheptan-3-one?
The InChIKey is VHUZEUHYRSTLCD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25NO/c1-7-11(14)10(8-9(2)3)13-12(4,5)6/h9-10,13H,7-8H2,1-6H3/t10-/m1/s1.
What are the key properties of (4R)-4-(tert-butylamino)-6-methylheptan-3-one?
(4R)-4-(tert-butylamino)-6-methylheptan-3-one has a molecular weight of 199.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(tert-butylamino)-6-methylheptan-3-one is sourced from PubChem (CID 88965299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).