5-(tert-butylamino)-6-methylheptan-2-one

C12H25NO — CID 89076225

IUPAC5-(tert-butylamino)-6-methylheptan-2-one
SMILESCC(=O)CCC(NC(C)(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)11(8-7-10(3)14)13-12(4,5)6/h9,11,13H,7-8H2,1-6H3
InChIKeyRGYVQUZKBMQQHV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.77
Rot. Bonds5

About 5-(tert-butylamino)-6-methylheptan-2-one

5-(tert-butylamino)-6-methylheptan-2-one (PubChem CID 89076225) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-(tert-butylamino)-6-methylheptan-2-one.

Molecular Properties

Compound Name5-(tert-butylamino)-6-methylheptan-2-one
PubChem CID89076225
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-(tert-butylamino)-6-methylheptan-2-one
SMILESCC(=O)CCC(NC(C)(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)11(8-7-10(3)14)13-12(4,5)6/h9,11,13H,7-8H2,1-6H3
InChIKeyRGYVQUZKBMQQHV-UHFFFAOYSA-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

2-(tert-butylamino)hexane-1,5-dione;rhodium(2+)
CID 20793795
5-tert-butyl-7-methyloctan-2-one
CID 102458733
5,7,7-trimethyloctane-2,6-dione
CID 87142826
(5S)-5-hydroxyhexan-2-one
CID 11491928
4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide
CID 164982954
tert-butyl N-(5-oxohexan-2-yl)carbamate
CID 59917777
5-tert-butyl-7-methylnonan-2-one
CID 71480963
5-(hydroxymethyl)-6-methylheptan-2-one
CID 101348452
5-hydrazinylhexan-2-one
CID 90310478
N-(5-oxo-2-propan-2-ylhexyl)acetamide
CID 158936357
methyl 2-(2,2-dimethoxypropanoyl)-5-oxohexanoate
CID 12846924
methyl (5R)-5-methyl-8-oxononanoate
CID 56834727

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-6-methylheptan-2-one?
The IUPAC name of 5-(tert-butylamino)-6-methylheptan-2-one (CID 89076225) is 5-(tert-butylamino)-6-methylheptan-2-one.
What is the SMILES notation for 5-(tert-butylamino)-6-methylheptan-2-one?
The canonical SMILES for 5-(tert-butylamino)-6-methylheptan-2-one is CC(=O)CCC(NC(C)(C)C)C(C)C.
What is the InChIKey of 5-(tert-butylamino)-6-methylheptan-2-one?
The InChIKey is RGYVQUZKBMQQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)11(8-7-10(3)14)13-12(4,5)6/h9,11,13H,7-8H2,1-6H3.
What are the key properties of 5-(tert-butylamino)-6-methylheptan-2-one?
5-(tert-butylamino)-6-methylheptan-2-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 5-(tert-butylamino)-6-methylheptan-2-one is sourced from PubChem (CID 89076225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).