4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one

C58H119N5O8 — CID 159701263

IUPAC4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one
SMILESCC(C)CC(N)C(=O)C(C)(C)C.CC(C)CCC(=O)C(C)(C)C.CC(C)C[C@@H](N)C(=O)C(C)(C)C.CC(C)C[C@H](N)C(=O)C(C)(C)C.CC(C)N(O)C(=O)C(C)(C)C.CON=C(C(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C10H19NO2.3C10H21NO.C10H20O.C8H17NO2/c1-7(2)8(11-13-6)9(12)10(3,4)5;3*1-7(2)6-8(11)9(12)10(3,4)5;1-8(2)6-7-9(11)10(3,4)5;1-6(2)9(11)7(10)8(3,4)5/h7H,1-6H3;3*7-8H,6,11H2,1-5H3;8H,6-7H2,1-5H3;6,11H,1-5H3/t;2*8-;;;/m.10.../s1
InChIKeyMXQNEARSRKVEMF-QOKNULHRSA-N
MW1014.62 g/mol
LogP12.88
Rot. Bonds16

About 4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one

4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one (PubChem CID 159701263) has the molecular formula C58H119N5O8 and a molecular weight of 1014.62 g/mol. Its IUPAC name is 4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one.

Molecular Properties

Compound Name4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one
PubChem CID159701263
Molecular FormulaC58H119N5O8
Molecular Weight1014.62 g/mol
Exact Mass1013.91
IUPAC Name4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one
SMILESCC(C)CC(N)C(=O)C(C)(C)C.CC(C)CCC(=O)C(C)(C)C.CC(C)C[C@@H](N)C(=O)C(C)(C)C.CC(C)C[C@H](N)C(=O)C(C)(C)C.CC(C)N(O)C(=O)C(C)(C)C.CON=C(C(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C10H19NO2.3C10H21NO.C10H20O.C8H17NO2/c1-7(2)8(11-13-6)9(12)10(3,4)5;3*1-7(2)6-8(11)9(12)10(3,4)5;1-8(2)6-7-9(11)10(3,4)5;1-6(2)9(11)7(10)8(3,4)5/h7H,1-6H3;3*7-8H,6,11H2,1-5H3;8H,6-7H2,1-5H3;6,11H,1-5H3/t;2*8-;;;/m.10.../s1
InChIKeyMXQNEARSRKVEMF-QOKNULHRSA-N
XLogP12.88
TPSA225.54 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001014.62
LogP ≤ 512.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one 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

(4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one
CID 156683675
6-amino-2,2,9-trimethyldecane-3,7-dione
CID 166970989
methyl 2,2,6-trimethyl-3-oxoheptanoate
CID 91150314
2-amino-2,6-dimethylheptan-3-one
CID 116560063
4-amino-2,2-dimethylheptan-3-one
CID 116554671
2-amino-6,6-dimethyl-5-oxoheptanethioic S-acid
CID 137434901
4-amino-2,2,6-trimethylnonan-3-one;ethane
CID 142239507
2,7-dimethyloctan-4-one;3-methyl-N-propan-2-ylbutanamide;2,2,6-trimethylheptan-3-one
CID 158719628
4-methylpentyl 2-amino-4-methylpentanoate
CID 61304078
2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione
CID 167423974
methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate
CID 143114753
(4S)-4-amino-6,6-dimethyl-5-oxoheptanoic acid;sulfane
CID 158948664

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one?
The IUPAC name of 4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one (CID 159701263) is 4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one.
What is the SMILES notation for 4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one?
The canonical SMILES for 4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one is CC(C)CC(N)C(=O)C(C)(C)C.CC(C)CCC(=O)C(C)(C)C.CC(C)C[C@@H](N)C(=O)C(C)(C)C.CC(C)C[C@H](N)C(=O)C(C)(C)C.CC(C)N(O)C(=O)C(C)(C)C.CON=C(C(=O)C(C)(C)C)C(C)C.
What is the InChIKey of 4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one?
The InChIKey is MXQNEARSRKVEMF-QOKNULHRSA-N. The full InChI is InChI=1S/C10H19NO2.3C10H21NO.C10H20O.C8H17NO2/c1-7(2)8(11-13-6)9(12)10(3,4)5;3*1-7(2)6-8(11)9(12)10(3,4)5;1-8(2)6-7-9(11)10(3,4)5;1-6(2)9(11)7(10)8(3,4)5/h7H,1-6H3;3*7-8H,6,11H2,1-5H3;8H,6-7H2,1-5H3;6,11H,1-5H3/t;2*8-;;;/m.10.../s1.
What are the key properties of 4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one?
4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one has a molecular weight of 1014.62 g/mol, XLogP of 12.88, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,6-trimethylheptan-3-one;(4S)-4-amino-2,2,6-trimethylheptan-3-one;(4R)-4-amino-2,2,6-trimethylheptan-3-one;N-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide;4-methoxyimino-2,2,5-trimethylhexan-3-one;2,2,6-trimethylheptan-3-one is sourced from PubChem (CID 159701263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).