2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide

C15H32N4O2 — CID 106711556

IUPAC2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide
SMILESCC(NCCCCC(C)(C)C(N)=NO)C(=O)NC(C)(C)C
InChIInChI=1S/C15H32N4O2/c1-11(12(20)18-14(2,3)4)17-10-8-7-9-15(5,6)13(16)19-21/h11,17,21H,7-10H2,1-6H3,(H2,16,19)(H,18,20)
InChIKeyWKFBWXFEIOSMRN-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.82
Rot. Bonds8

About 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide

2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide (PubChem CID 106711556) has the molecular formula C15H32N4O2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide
PubChem CID106711556
Molecular FormulaC15H32N4O2
Molecular Weight300.45 g/mol
Exact Mass300.25
IUPAC Name2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide
SMILESCC(NCCCCC(C)(C)C(N)=NO)C(=O)NC(C)(C)C
InChIInChI=1S/C15H32N4O2/c1-11(12(20)18-14(2,3)4)17-10-8-7-9-15(5,6)13(16)19-21/h11,17,21H,7-10H2,1-6H3,(H2,16,19)(H,18,20)
InChIKeyWKFBWXFEIOSMRN-UHFFFAOYSA-N
XLogP1.82
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
CID 106711557
2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-methylpropanamide
CID 77063133
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide
CID 106711622
2-(3-aminopropylamino)-N-tert-butylpropanamide
CID 62274878
2-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]-N-ethyl-N-methylpropanamide
CID 103110710
N'-hydroxy-2,2-dimethyl-6-(4-methylhexan-2-ylamino)hexanimidamide
CID 106711358
N'-hydroxy-2,2-dimethyl-6-[1-(4-methylphenyl)ethylamino]hexanimidamide
CID 106711270
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide
CID 113293207
N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
CID 106011954
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide
CID 106711562
6-[1-(furan-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711078

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide (CID 106711556) is 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide is CC(NCCCCC(C)(C)C(N)=NO)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide?
The InChIKey is WKFBWXFEIOSMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2/c1-11(12(20)18-14(2,3)4)17-10-8-7-9-15(5,6)13(16)19-21/h11,17,21H,7-10H2,1-6H3,(H2,16,19)(H,18,20).
What are the key properties of 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide?
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide has a molecular weight of 300.45 g/mol, XLogP of 1.82, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide is sourced from PubChem (CID 106711556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).