(4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione

C17H33NO2 — CID 140940119

IUPAC(4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione
SMILESCC(C)(C)N[C@@H](CCC(=O)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C17H33NO2/c1-15(2,3)13(19)11-10-12(18-17(7,8)9)14(20)16(4,5)6/h12,18H,10-11H2,1-9H3/t12-/m0/s1
InChIKeyYLXHCIFWWBEUOX-LBPRGKRZSA-N
MW283.46 g/mol
LogP3.75
Rot. Bonds5

About (4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione

(4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione (PubChem CID 140940119) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is (4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione.

Molecular Properties

Compound Name(4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione
PubChem CID140940119
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name(4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione
SMILESCC(C)(C)N[C@@H](CCC(=O)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C17H33NO2/c1-15(2,3)13(19)11-10-12(18-17(7,8)9)14(20)16(4,5)6/h12,18H,10-11H2,1-9H3/t12-/m0/s1
InChIKeyYLXHCIFWWBEUOX-LBPRGKRZSA-N
XLogP3.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(tert-butylamino)-N-(2-iodo-2,8,8-trimethyl-3,7-dioxononan-4-yl)-6,6-dimethyl-5-oxoheptanamide
CID 166965355
2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione
CID 167423974
(4S)-4-(tert-butylamino)-2,2-dimethyl-6-sulfanylhexan-3-one
CID 177273327
(4S)-4-(tert-butylamino)-6-methoxy-2,2-dimethylhexan-3-one
CID 138500390
(4R)-4-(tert-butylamino)-2,2,9,9-tetramethyldecane-3,8-dione;(4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione;1-[3-(2,2-dimethylpropanoyl)-5-(propan-2-ylamino)phenyl]-2,2-dimethylpropan-1-one
CID 157354984
(2S)-2-(tert-butylamino)-4,4-dimethyl-1-sulfanylpentan-3-one
CID 130318731
1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one
CID 58520717
2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide
CID 167423969
4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane
CID 161063092
N-[6-(tert-butylamino)-1-oxo-1-[(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)amino]hexan-2-yl]-5,5-dimethyl-4-oxohexanamide
CID 171419319
[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]-(diaminomethylidene)azanium
CID 169301958
(4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one
CID 176762057

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione?
The IUPAC name of (4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione (CID 140940119) is (4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione.
What is the SMILES notation for (4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione?
The canonical SMILES for (4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione is CC(C)(C)N[C@@H](CCC(=O)C(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of (4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione?
The InChIKey is YLXHCIFWWBEUOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H33NO2/c1-15(2,3)13(19)11-10-12(18-17(7,8)9)14(20)16(4,5)6/h12,18H,10-11H2,1-9H3/t12-/m0/s1.
What are the key properties of (4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione?
(4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione has a molecular weight of 283.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione is sourced from PubChem (CID 140940119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).