4-(tert-butylamino)-8-(hydroxymethyl)-2,2-dimethyldecane-3,7-dione

C17H33NO3 — CID 123585267

IUPAC4-(tert-butylamino)-8-(hydroxymethyl)-2,2-dimethyldecane-3,7-dione
SMILESCCC(CO)C(=O)CCC(NC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C17H33NO3/c1-8-12(11-19)14(20)10-9-13(18-17(5,6)7)15(21)16(2,3)4/h12-13,18-19H,8-11H2,1-7H3
InChIKeyRIXRVPLXJCOGEQ-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.73
Rot. Bonds8

About 4-(tert-butylamino)-8-(hydroxymethyl)-2,2-dimethyldecane-3,7-dione

4-(tert-butylamino)-8-(hydroxymethyl)-2,2-dimethyldecane-3,7-dione (PubChem CID 123585267) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 4-(tert-butylamino)-8-(hydroxymethyl)-2,2-dimethyldecane-3,7-dione.

Molecular Properties

Compound Name4-(tert-butylamino)-8-(hydroxymethyl)-2,2-dimethyldecane-3,7-dione
PubChem CID123585267
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Name4-(tert-butylamino)-8-(hydroxymethyl)-2,2-dimethyldecane-3,7-dione
SMILESCCC(CO)C(=O)CCC(NC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C17H33NO3/c1-8-12(11-19)14(20)10-9-13(18-17(5,6)7)15(21)16(2,3)4/h12-13,18-19H,8-11H2,1-7H3
InChIKeyRIXRVPLXJCOGEQ-UHFFFAOYSA-N
XLogP2.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(tert-butylamino)-8-(hydroxymethyl)-2,2-dimethyldecane-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

6-Ethyl-6-methyl-2-(3-methylpentan-3-ylamino)-5-oxooctanoic acid
CID 89351129
2-[(2-Tert-butyl-2,4,4-trimethylpentyl)amino]-8-hydroxy-2-methyloctan-3-one
CID 123272750
6-(Tert-butylamino)-1-hydroxy-2-(hydroxymethyl)-8,8-dimethylnonane-3,7-dione
CID 123489057
(4S)-4-[[(5S)-5-amino-2-hydroxy-5,8-dimethyl-4-oxononan-3-yl]amino]-6-(butan-2-ylamino)-2,4,7-trimethylnonan-5-one
CID 130344270
(2S)-2-(2,3-dimethylbutan-2-ylamino)-8-hydroxy-6,6,7-trimethyl-5-oxooctanoic acid
CID 145132738
3-(Ethylamino)-7-(hydroxymethyl)nonane-2,6-dione
CID 158285749
6-(Butan-2-ylamino)-4-[[2-hydroxy-5,8-dimethyl-5-(methylamino)-4-oxononan-3-yl]amino]-2,4,7-trimethylnonan-5-one
CID 170099641
1-(Tert-butylamino)-2-(hydroxymethyl)hexadecan-3-one
CID 175471785
3-Hydroxy-4,4,6,8,12-pentamethyl-15-(methylamino)-5-oxopentadecanal
CID 142247805
5-(Tert-butylamino)-1,11-dihydroxy-2,10-bis(hydroxymethyl)undecane-4,8-dione
CID 157158562
3-hydroxy-N-[10-hydroxy-9-(hydroxymethyl)-2,2-dimethyl-3,7-dioxodecan-4-yl]-2-(hydroxymethyl)propanamide
CID 157855283

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-8-(hydroxymethyl)-2,2-dimethyldecane-3,7-dione?
The IUPAC name of 4-(tert-butylamino)-8-(hydroxymethyl)-2,2-dimethyldecane-3,7-dione (CID 123585267) is 4-(tert-butylamino)-8-(hydroxymethyl)-2,2-dimethyldecane-3,7-dione.
What is the SMILES notation for 4-(tert-butylamino)-8-(hydroxymethyl)-2,2-dimethyldecane-3,7-dione?
The canonical SMILES for 4-(tert-butylamino)-8-(hydroxymethyl)-2,2-dimethyldecane-3,7-dione is CCC(CO)C(=O)CCC(NC(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 4-(tert-butylamino)-8-(hydroxymethyl)-2,2-dimethyldecane-3,7-dione?
The InChIKey is RIXRVPLXJCOGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-8-12(11-19)14(20)10-9-13(18-17(5,6)7)15(21)16(2,3)4/h12-13,18-19H,8-11H2,1-7H3.
What are the key properties of 4-(tert-butylamino)-8-(hydroxymethyl)-2,2-dimethyldecane-3,7-dione?
4-(tert-butylamino)-8-(hydroxymethyl)-2,2-dimethyldecane-3,7-dione has a molecular weight of 299.46 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-8-(hydroxymethyl)-2,2-dimethyldecane-3,7-dione is sourced from PubChem (CID 123585267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).