4,9-diamino-2,2,5,7,7,10-hexamethylundecane-3,8-dione

C17H34N2O2 — CID 138482808

IUPAC4,9-diamino-2,2,5,7,7,10-hexamethylundecane-3,8-dione
SMILESCC(C)C(N)C(=O)C(C)(C)CC(C)C(N)C(=O)C(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-10(2)12(18)15(21)17(7,8)9-11(3)13(19)14(20)16(4,5)6/h10-13H,9,18-19H2,1-8H3
InChIKeyNFWWRVKEJKGJDL-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.53
Rot. Bonds7

About 4,9-diamino-2,2,5,7,7,10-hexamethylundecane-3,8-dione

4,9-diamino-2,2,5,7,7,10-hexamethylundecane-3,8-dione (PubChem CID 138482808) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4,9-diamino-2,2,5,7,7,10-hexamethylundecane-3,8-dione.

Molecular Properties

Compound Name4,9-diamino-2,2,5,7,7,10-hexamethylundecane-3,8-dione
PubChem CID138482808
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name4,9-diamino-2,2,5,7,7,10-hexamethylundecane-3,8-dione
SMILESCC(C)C(N)C(=O)C(C)(C)CC(C)C(N)C(=O)C(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-10(2)12(18)15(21)17(7,8)9-11(3)13(19)14(20)16(4,5)6/h10-13H,9,18-19H2,1-8H3
InChIKeyNFWWRVKEJKGJDL-UHFFFAOYSA-N
XLogP2.53
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2,5,5-trimethyl-4-oxohexanoic acid
CID 130346585
(2R)-2-amino-3,5,5-trimethylhexanoic acid
CID 175049210
4-tert-butyl-2,2,6,6-tetramethylheptan-3-one
CID 157168171
3,6-diamino-4,6-dimethylheptan-2-one
CID 130436042
4-amino-2,2-dimethylheptan-3-one
CID 116554671
(4S,5R)-4-hydroxy-2,2,5,7,7-pentamethyloctan-3-one
CID 153298932
(4R,5S)-4-hydroxy-2,2,5,7,7-pentamethyloctan-3-one
CID 153298947
(4S)-4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-one
CID 11830941
tert-butyl (2S)-2-amino-3-methylbutaneperoxoate
CID 175443890
(3R)-3-amino-5-ethyl-2,5-dimethylnonan-4-one
CID 138525019
1-amino-3,3-dimethylbutan-2-one;1-amino-4,4-dimethylpentan-3-one;(4S)-4-amino-2,2,5-trimethylhexan-3-one;bis(carbon dioxide);2,2-dimethylhexan-3-one;2,2-dimethylpentan-3-one
CID 157387760
(4S)-4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-one;hydrochloride
CID 131719225

Frequently Asked Questions

What is the IUPAC name of 4,9-diamino-2,2,5,7,7,10-hexamethylundecane-3,8-dione?
The IUPAC name of 4,9-diamino-2,2,5,7,7,10-hexamethylundecane-3,8-dione (CID 138482808) is 4,9-diamino-2,2,5,7,7,10-hexamethylundecane-3,8-dione.
What is the SMILES notation for 4,9-diamino-2,2,5,7,7,10-hexamethylundecane-3,8-dione?
The canonical SMILES for 4,9-diamino-2,2,5,7,7,10-hexamethylundecane-3,8-dione is CC(C)C(N)C(=O)C(C)(C)CC(C)C(N)C(=O)C(C)(C)C.
What is the InChIKey of 4,9-diamino-2,2,5,7,7,10-hexamethylundecane-3,8-dione?
The InChIKey is NFWWRVKEJKGJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-10(2)12(18)15(21)17(7,8)9-11(3)13(19)14(20)16(4,5)6/h10-13H,9,18-19H2,1-8H3.
What are the key properties of 4,9-diamino-2,2,5,7,7,10-hexamethylundecane-3,8-dione?
4,9-diamino-2,2,5,7,7,10-hexamethylundecane-3,8-dione has a molecular weight of 298.47 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-diamino-2,2,5,7,7,10-hexamethylundecane-3,8-dione is sourced from PubChem (CID 138482808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).